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Bentazepam

Bentazepam structure

CAS No:
29462-18-8
Formula:
C17H16N2OS
Chemical Name:
Bentazepam
Synonyms:
2H-[1]Benzothieno[2,3-e]-1,4-diazepin-2-one,1,3,6,7,8,9-hexahydro-5-phenyl-;1,3,6,7,8,9-Hexahydro-5-phenyl-2H-[1]benzothieno[2,3-e]-1,4-diazepin-2-one;QM 6008;Thiadipone;Bentazepam;Tiadipone;CI 718
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Bentazepam is an organosulfur heterocyclic compound and an organonitrogen heterocyclic compound.

Bentazepam Basic Attributes

Molecular Weight：

296.388

Exact Mass：

296.39

EC Number：

608-362-7

UNII：

66JKK43S1Z

ATC Code：

N - Nervous system

Characteristics

PSA：

66.8

XLogP3：

2.99000

Density：

1.38g/cm3

Melting Point：

267-269 °C @ Solvent: Diethyl ether

Boiling Point：

532.6ºC at 760 mmHg

Flash Point：

275.9ºC

Refractive Index：

1.733

Water Solubility：

36.3 [ug/mL]

Toxicity：

Oral-rat LD50: 2000 mg/kg; Oral-Mouse LD50; 980 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes

Safety Information

Storage features：

Ventilated, low temperature and dry

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH：

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)

MeSH Entry Terms：

6,7-tetramethylene-5-phenyl-1,2-dihydro-3H-thieno(2,3-e)(1,4)diazepin-2-one

Bentazepam Use and Manufacturing

Sedative-hypnotic.

Computed Properties

Molecular Weight:296.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:296.09833431
Monoisotopic Mass:296.09833431
Topological Polar Surface Area:69.7
Heavy Atom Count:21
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes