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Demoxepam

Demoxepam structure

CAS No:
963-39-3
Formula:
C15H11ClN2O2
Chemical Name:
Demoxepam
Synonyms:
2H-1,4-Benzodiazepin-2-one,7-chloro-1,3-dihydro-5-phenyl-,4-oxide;Ro 5-2092;Demoxepam;7-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one 4-oxide;7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide;7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide;Chlordiazepoxide lactam;5-Phenyl-7-chloro-3H-1,4-benzodiazepin-2(1H)-one 4-oxide;NSC 46007;NSC 169898;NSC 46077;53967-45-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Demoxepam Basic Attributes

Molecular Weight：

286.715

Exact Mass：

286.71

EC Number：

213-515-2

UNII：

8X1XP5M0SB

NSC Number：

169898|46077

DSSTox ID：

DTXSID4046155

HScode：

2933990090

Characteristics

PSA：

52.9

XLogP3：

2.73660

Density：

1.37g/cm3

Melting Point：

235-236 °C (decomp)

Boiling Point：

447.4ºC at 760mmHg

Flash Point：

224.4ºC

Refractive Index：

1.682

Water Solubility：

37.9 [ug/mL]

Collision Cross Section：

161.7 Å² [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Safety Information

Transport codes：

UN 1648 3 / PGII

wgk germany：

safety instructions：

16-26-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235

Hazard Statements：

H225-H302 + H312 + H332-H319

GHS Classification：

|Danger|H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

demoxepam

Demoxepam Use and Manufacturing

Uses

A major metabolite of Chlordiazepoxide (C327050). A benzodiapine derivative with anticonvulsant properties.

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:286.71
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:286.0509053
Monoisotopic Mass:286.0509053
Topological Polar Surface Area:52.9
Heavy Atom Count:20
Complexity:554
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes