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Doxefazepam

Doxefazepam structure

CAS No:
40762-15-0
Formula:
C17H14ClFN2O3
Chemical Name:
Doxefazepam
Synonyms:
2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-;7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-2H-1,4-benzodiazepin-2-one;1-(2-Hydroxyethyl)-3-hydroxy-7-chloro-1,3-dihydro-5-(o-fluorophenyl)-2H-1,4-benzodiazepin-2-one;SAS 643;N-1-Hydroxyethyl-3-hydroxyflurazepam;Doxefazepam;Doxans
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Description

Doxefazepam is a benzodiazepine.

Doxefazepam Basic Attributes

Molecular Weight：

348.758

Exact Mass：

348.76

DSSTox ID：

DTXSID2020551

ATC Code：

N - Nervous system

Characteristics

PSA：

73.1

XLogP3：

1.47440

Density：

1.45g/cm3

Melting Point：

138-140 °C

Boiling Point：

618.4ºC at 760mmHg

Flash Point：

327.8ºC

Refractive Index：

1.646

Toxicity：

LD50 in rats, mice (mg/kg): 2550, >1500 orally; 586, 774 i.p. (Babbini)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3249

Drug Information

MeSH Entry Terms：

1-(2-hydroxyethyl)-3-hydroxy-7-chloro-1,3-dihydro-5-(o-fluorophenyl)-2H-1,4-benzodiazepin-2-one

Computed Properties

Molecular Weight:348.8
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:348.0676982
Monoisotopic Mass:348.0676982
Topological Polar Surface Area:73.1
Heavy Atom Count:24
Complexity:504
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes