N-(3,4,5-Trimethoxybenzoyl)morpholine (Trimetozine) [C14H19NO5]

Query Query

Results

Date

1 substances in Reaxys

2018-06-02 10h:59m:32s (UTC)

O O N

1. Query

O O O

Search as: As drawn ))

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

1/13

2018-06-02 11:00:28

Reaxys ID 1085184 View in Reaxys

1/1 O

CAS Registry Number: 635-41-6 Chemical Name: trimetozine; Trimetozine; morpholino(3,4,5-trimethoxyphenyl)methanone; 4-(3,4,5-trimethoxybenzoyl)morhpoline; N-(3,4,5-trimethoxybenzoyl)morpholine; Trimetozin; ZINC00000811 Linear Structure Formula: C14H19NO5 Molecular Formula: C14H19NO5 Molecular Weight: 281.309 Type of Substance: heterocyclic InChI Key: XWVOEFLBOSSYGM-UHFFFAOYSA-N Note:

N O O

O O

Substance Label (10) Label References 4ea

Saito, Nozomi; Taniguchi, Takahisa; Hoshiya, Naoyuki; Shuto, Satoshi; Arisawa, Mitsuhiro; Sato, Yoshihiro; Green Chemistry; vol. 17; nb. 4; (2015); p. 2358 - 2361, View in Reaxys

3i

Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys

8a

Pettit, George R.; Grealish, Matthew P.; Herald, Delbert L.; Boyd, Michael R.; Hamel, Ernest; Pettit, Robin K.; Journal of Medicinal Chemistry; vol. 43; nb. 14; (2000); p. 2731 - 2737, View in Reaxys

12

Kar; Pharmazie; vol. 38; nb. 5; (1983); p. 313 - 315, View in Reaxys

11/12

Patent; ESZAKMAGYARORSZAGI VEGYIMOVEK; FR2253735; (1975); DE2365451; Chem.Abstr.; vol. 83; nb.

163852, View in Reaxys

11

Kuhnert-Brandstaetter et al.; Scientia Pharmaceutica; vol. 42; (1974); p. 234,235-248, View in Reaxys

II

Klosa,J.; Journal fuer Praktische Chemie (Leipzig); vol. 19; (1963); p. 45 - 55, View in Reaxys; Pettit et al.; Journal of Medicinal and Pharmaceutical Chemistry; vol. 5; (1962); p. 800,804, View in Reaxys

Ia,R=3,4,5(CH3O)3C6H2CO-

Kasztreiner et al.; Biochemical Pharmacology; vol. 11; (1962); p. 651; Chem.Abstr.; vol. 58; nb. 5667c; (1963), View in Reaxys

3

Patent; Egyesult Gyogyszer es Tapszergyar; GB872350; (1960); Chem.Abstr.; vol. 56; nb. 474; (1962), View in Reaxys

9

Patent; Egyesult Gyogyszer es Tapszergyar; GB872350; (1960); Chem.Abstr.; vol. 56; nb. 474; (1962), View in Reaxys

Druglikeness (1) 1 of 1

LogP

0.646

H Bond Donors

0

H Bond Acceptors

3

Rotatable Bonds

5

TPSA

57.23

Lipinski Number

4

Veber Number

2

Highest Clinical Phase (1) Highest Clinical Phase Marketed Melting Point (8) 1 of 8

Melting Point [°C]

120 - 121

Location

supporting information

Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys 2 of 8

Melting Point [°C]

135

Solvent (Melting Point)

ethanol

Kar; Pharmazie; vol. 38; nb. 5; (1983); p. 313 - 315, View in Reaxys

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

2/13

2018-06-02 11:00:28

3 of 8

Melting Point [°C]

117 - 119

Kuhnert-Brandstaetter et al.; Scientia Pharmaceutica; vol. 42; (1974); p. 234,235-248, View in Reaxys 4 of 8

Melting Point [°C]

113 - 115

Solvent (Melting Point)

aq. methanol

Klosa,J.; Journal fuer Praktische Chemie (Leipzig); vol. 19; (1963); p. 45 - 55, View in Reaxys 5 of 8

Melting Point [°C]

120 - 122

Patent; Gyog. Kut. Int.; HU147687; Chem.Abstr.; vol. 58; nb. 7950b; (1963), View in Reaxys; Patent; Egyesult; AT224644; (1962); Chem.Abstr.; vol. 58; nb. 9091c; (1963), View in Reaxys; Patent; Egyesult Gyogyszer es Tapszergyar; GB872350; (1960); Chem.Abstr.; vol. 56; nb. 474; (1962), View in Reaxys 6 of 8

Melting Point [°C]

120 - 121

Solvent (Melting Point)

methanol

Pettit et al.; Journal of Medicinal and Pharmaceutical Chemistry; vol. 5; (1962); p. 800,804, View in Reaxys 7 of 8

Melting Point [°C]

76 - 77

Kasztreiner et al.; Biochemical Pharmacology; vol. 11; (1962); p. 651; Chem.Abstr.; vol. 58; nb. 5667c; (1963), View in Reaxys 8 of 8

Melting Point [°C]

120 - 122

Solvent (Melting Point)

aq. ethanol

Patent; Egyesult Gyogyszer es Tapszergyar; GB872350; (1960); Chem.Abstr.; vol. 56; nb. 474; (1962), View in Reaxys Crystal Property Description (3) Colour & Other Location Properties

References

yellow

supporting informa- Saito, Nozomi; Taniguchi, Takahisa; Hoshiya, Naoyuki; Shuto, Satoshi; Arisawa, Mitsuhiro; tion Sato, Yoshihiro; Green Chemistry; vol. 17; nb. 4; (2015); p. 2358 - 2361, View in Reaxys

white

supporting informa- Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; tion (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys

yellow

Khan, Khalid Mohammed; Khan, Muhammad Zarrar; Taha, Muhammad; Maharvi, Ghulam Murtaza; Saify, Zafar Saeed; Parveen, Shahnaz; Choudhary, Muhammad Iqbal; Natural Product Research; vol. 23; nb. 5; (2009); p. 479 - 484, View in Reaxys

Liquid/Liquid Systems (MCS) (1) 1 of 1

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

aqueous buffer sol./Et2O (pH=3...11), or CHCl3 (pH=3)

Muller; Pharmazie; vol. 38; nb. 7; (1983); p. 462 - 466, View in Reaxys Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Systems (MCS))

Eutectic

Kuhnert-Brandstaetter et al.; Scientia Pharmaceutica; vol. 42; (1974); p. 234,235-248, View in Reaxys Partition octan-1-ol/water (MCS) (1) 1 of 1

log POW

0.38

Palos, Isidro; Lara-Ramirez, Edgar E.; Lopez-Cedillo, Julio Cesar; Garcia-Perez, Carlos; Kashif, Muhammad; Bocanegra-Garcia, Virgilio; Nogueda-Torres, Benjamin; Rivera, Gildardo; Molecules; vol. 22; nb. 6; (2017); Art.No: 1015, View in Reaxys NMR Spectroscopy (5) 1 of 5

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Coupling Nuclei

1H

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

3/13

2018-06-02 11:00:28

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 500 scopy) [MHz] Location

supporting information

Saito, Nozomi; Taniguchi, Takahisa; Hoshiya, Naoyuki; Shuto, Satoshi; Arisawa, Mitsuhiro; Sato, Yoshihiro; Green Chemistry; vol. 17; nb. 4; (2015); p. 2358 - 2361, View in Reaxys 2 of 5

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 125 scopy) [MHz] Location

supporting information

Saito, Nozomi; Taniguchi, Takahisa; Hoshiya, Naoyuki; Shuto, Satoshi; Arisawa, Mitsuhiro; Sato, Yoshihiro; Green Chemistry; vol. 17; nb. 4; (2015); p. 2358 - 2361, View in Reaxys 3 of 5

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 300 scopy) [MHz] Location

supporting information

Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys 4 of 5

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 75 scopy) [MHz] Location

supporting information

Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys 5 of 5

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Pettit, George R.; Grealish, Matthew P.; Herald, Delbert L.; Boyd, Michael R.; Hamel, Ernest; Pettit, Robin K.; Journal of Medicinal Chemistry; vol. 43; nb. 14; (2000); p. 2731 - 2737, View in Reaxys IR Spectroscopy (2)

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

4/13

2018-06-02 11:00:28

1 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Location

supporting information

Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Pettit et al.; Journal of Medicinal and Pharmaceutical Chemistry; vol. 5; (1962); p. 800,804, View in Reaxys Mass Spectrometry (2) Description (Mass Location Spectrometry)

References

electrospray ionisa- supporting informa- Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; tion (ESI); spection (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys trum high resolution supporting informa- Bathini, Thulasiram; Rawat, Vikas S.; Bojja, Sreedhar; Tetrahedron Letters; vol. 56; nb. 41; mass spectrometry tion (2015); p. 5656 - 5660; Art.No: 46650, View in Reaxys (HRMS); tandem mass spectrometry; electrospray ionisation (ESI); time-offlight mass spectra (TOFMS); spectrum UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

UV/VIS

Kuhnert-Brandstaetter et al.; Scientia Pharmaceutica; vol. 42; (1974); p. 234,235-248, View in Reaxys Medchem (30) 1 of 30

Target Name

Cytochrome P450 3A [human]

Target Synonyms

cytochrome p450 3a

Target, Subunit, Species

Cytochrome P450 3A [human]

Target Mutant/Chimera Details

Cytochrome P450 3A [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

1085184View in Reaxys

Substance Name

Trimetozine

Substance Dose

1 µM

Measurement Parameter

% Inhibition

Unit

%

Qualitative value

<

Quantitative value

10

Measurement pX

1

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

5/13

2018-06-02 11:00:28

2 of 30

Metabolite RN

899031

Metabolite name

1'-Hydroxymidazolam

Concomitants: Compound RN

625572; 506008; 506008; 77911; 77911

Concomitants: Compound name

Midazolam; DMSO; DMSO; NADPH; NADPH

Concomitants: Compound role

SUB; SLV; SLV; COE; COE

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

1085184View in Reaxys

Substance Name

Trioxazine

Substance Dose

50 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Unit

%

Measurement Object

of aggressive behavior

Quantitative value

25 - 50

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 3 of 30

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

1085184View in Reaxys

Substance Name

Trioxazine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Unit

%

Measurement Object

of aggressive behavior

Quantitative value

25 - 75

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 4 of 30

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

1085184View in Reaxys

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

6/13

2018-06-02 11:00:28

Substance Name

Trioxazine

Substance Dose

50 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

time

Unit

hour

Measurement Object

Inhibition

Quantitative value

1

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 5 of 30

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

1085184View in Reaxys

Substance Name

Trioxazine

Substance Dose

75 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

time

Unit

hour

Measurement Object

Inhibition

Quantitative value

6

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 6 of 30

Substance Effect

Anti-Leishmaniasis

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : leishmanicidal

Biological Species/NCBI ID

Leishmania major

Substance RN

1085184View in Reaxys

Substance Name

6

Measurement Parameter

IC50

Unit

µg/mL

Quantitative value

100

Measurement pX

3.45

Khan, Khalid Mohammed; Khan, Muhammad Zarrar; Taha, Muhammad; Maharvi, Ghulam Murtaza; Saify, Zafar Saeed; Parveen, Shahnaz; Choudhary, Muhammad Iqbal; Natural Product Research; vol. 23; nb. 5; (2009); p. 479 - 484, View in Reaxys 7 of 30

Substance Effect

Cytotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : cell growth

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

7/13

2018-06-02 11:00:28

Cells/Cell Lines

PC12

Substance RN

1085184View in Reaxys

Substance Name

III-8

Measurement Parameter

IC50

Unit

µM

Qualitative value

>

Quantitative value

100

Measurement pX

1

Yang, Xiao-Dong; Zeng, Xiang-Hui; Zhao, Yuan-Hong; Wang, Xue-Quan; Pan, Zhi-Qiang; Li, Liang; Zhang, Hong-Bin; Journal of Combinatorial Chemistry; vol. 12; nb. 3; (2010); p. 307 - 310, View in Reaxys 8 of 30

Substance Effect

Cytotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : cell growth

Cells/Cell Lines

U-937

Substance RN

1085184View in Reaxys

Substance Name

III-8

Measurement Parameter

IC50

Unit

µM

Qualitative value

>

Quantitative value

100

Measurement pX

1

Yang, Xiao-Dong; Zeng, Xiang-Hui; Zhao, Yuan-Hong; Wang, Xue-Quan; Pan, Zhi-Qiang; Li, Liang; Zhang, Hong-Bin; Journal of Combinatorial Chemistry; vol. 12; nb. 3; (2010); p. 307 - 310, View in Reaxys 9 of 30

Substance Effect

Cytotoxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : cell growthBioassay : tumor AGZY cells

Substance RN

1085184View in Reaxys

Substance Name

III-8

Measurement Parameter

IC50

Unit

µM

Qualitative value

>

Quantitative value

100

Measurement pX

1

Yang, Xiao-Dong; Zeng, Xiang-Hui; Zhao, Yuan-Hong; Wang, Xue-Quan; Pan, Zhi-Qiang; Li, Liang; Zhang, Hong-Bin; Journal of Combinatorial Chemistry; vol. 12; nb. 3; (2010); p. 307 - 310, View in Reaxys 10 of 30

Substance Effect

Anxiolytic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1085184View in Reaxys

Substance Name

Trimetozine

Measurement Parameter

qualitative

Qualitative value

@

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

8/13

2018-06-02 11:00:28

; (2012); Type: Review, Lab: EFF_071212, Owner: EFFECT, Number: 000, Revision: 07.12.2012 00:00:00, View in Reaxys 11 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1085184View in Reaxys

Substance Name

273917

Qualitative Results

LD50: > 500 mg/kg i.p. (mice)

Measurement Parameter

qualitative

Kar; Pharmazie; vol. 38; nb. 5; (1983); p. 313 - 315, View in Reaxys 12 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Oral lethal dose in rat

Biological Species/NCBI ID

rat

Substance RN

1085184View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

1800

Knoll; Fuerst; Meszaros; Arzneimittel-Forschung; vol. 21; nb. 5; (1971); p. 719 - 727, View in Reaxys 13 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in rat upon oral administration

Biological Species/NCBI ID

rat

Substance RN

1085184View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

1800

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1800

Knoll; Fuerst; Meszaros; Arzneimittel-Forschung; vol. 21; nb. 5; (1971); p. 719 - 727, View in Reaxys 14 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in mouse upon subcutaneous administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Qualitative Results

1550

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1550

BOISSIER; SIMON; FICHELLE-PAGNY; Thérapie; vol. 20; (1965); p. 401 - 408, View in Reaxys 15 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in mouse upon parenteral administration

Biological Species/NCBI ID

mouse

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

9/13

2018-06-02 11:00:28

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intravenous administration

Qualitative Results

1200

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1200

Comparative biochemistry and physiology. C, Comparative pharmacology and toxicology; vol. 33; (1970); p. 70, View in Reaxys 16 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in mouse upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

1150

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1150

Yakuri to Chiryo Pharmacol. Ther.; vol. 4; (1976); p. 2487, View in Reaxys 17 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in mouse upon oral administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

2400

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

2400

Yakuri to Chiryo Pharmacol. Ther.; vol. 4; (1976); p. 2487, View in Reaxys 18 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in rat upon intraperitoneal administration

Biological Species/NCBI ID

rat

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

1080

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1080

Yakuri to Chiryo Pharmacol. Ther.; vol. 4; (1976); p. 2487, View in Reaxys 19 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Subcutaneous lethal dose in Mouse

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

10/13

2018-06-02 11:00:28

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

1550

BOISSIER; SIMON; FICHELLE-PAGNY; Thérapie; vol. 20; (1965); p. 401 - 408, View in Reaxys 20 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in rat upon subcutaneous administration

Biological Species/NCBI ID

rat

Substance RN

1085184View in Reaxys

Qualitative Results

1400

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

1400

Yakuri to Chiryo Pharmacol. Ther.; vol. 4; (1976); p. 2487, View in Reaxys 21 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound in mouse upon intravenous administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Qualitative Results

960

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

960

Psychotropic Drugs and Related Compounds, 2nd ed., 1972, (), 312; (1972); p. 312, View in Reaxys 22 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Activity of the compound against spontaneous motility in mouse was determined upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Measurement Object

relative activity

Quantitative value

1

Hankovszky; Kideg; Journal of medicinal chemistry; vol. 9; nb. 1; (1966); p. 151 - 153, View in Reaxys 23 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Sedative activity of the compound tested for antagonism against deoxyephedrine in mouse upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

11/13

2018-06-02 11:00:28

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Measurement Object

relative activity

Quantitative value

1

Hankovszky; Kideg; Journal of medicinal chemistry; vol. 9; nb. 1; (1966); p. 151 - 153, View in Reaxys 24 of 30

Substance Action on Target

Antagonist

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose tested for antagonism against deoxyephedrine in mouse upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

=

Quantitative value

180

Hankovszky; Kideg; Journal of medicinal chemistry; vol. 9; nb. 1; (1966); p. 151 - 153, View in Reaxys 25 of 30

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose was determined in mice upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

=

Quantitative value

1300

Hankovszky; Kideg; Journal of medicinal chemistry; vol. 9; nb. 1; (1966); p. 151 - 153, View in Reaxys 26 of 30

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose that cause spontaneous motility in mouse was determined upon intraperitoneal administration

Biological Species/NCBI ID

mouse

Substance RN

1085184View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

spontaneous motility

Qualitative value

=

Quantitative value

65

Hankovszky; Kideg; Journal of medicinal chemistry; vol. 9; nb. 1; (1966); p. 151 - 153, View in Reaxys 27 of 30

Bioassay Category

In Vitro (Efficacy)

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

12/13

2018-06-02 11:00:28

Bioassay Details

Sedative effect of the compound was determined in human at a dose of 300-1500 mg per day; Effective

Biological Species/NCBI ID

human

Substance RN

1085184View in Reaxys

Qualitative Results

Effective

Measurement Parameter

Activity

Qualitative value

@

Cornelius K. Cain; Annual reports in medicinal chemistry; vol. 2; (1966); p. 24 - 32, View in Reaxys 28 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for sedative action in animals

Substance RN

1085184View in Reaxys

Measurement Parameter

Activity

Qualitative value

ND

Cornelius K. Cain; Annual reports in medicinal chemistry; vol. 1; (1965); p. 30 - 39, View in Reaxys 29 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tranquilizing effect of the compound was determined in children; mild

Biological Species/NCBI ID

human

Substance RN

1085184View in Reaxys

Measurement Parameter

Activity

Measurement Object

Tranquilizing activity

Qualitative value

ND

R. Ian Fryer; Annual reports in medicinal chemistry; vol. 5; (1969); p. 1 - 30, View in Reaxys 30 of 30

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Dose of the compound required for chronic psychotic patients

Biological Species/NCBI ID

human

Substance RN

1085184View in Reaxys

Measurement Parameter

dose

Unit

mg/day

Measurement Object

Chronic psychotic patients

Qualitative value

=

Quantitative value

2100

Irwin J. Pachter; Alan A. Rubin; Annual reports in medicinal chemistry; vol. 3; (1967); p. 1 - 13, View in Reaxys

Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only.

Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

13/13

2018-06-02 11:00:28