ChemicalBook--->CAS DataBase List--->963-39-3

963-39-3

963-39-3 Structure

963-39-3 Structure
IdentificationBack Directory
[Name]

Demoxepam
[CAS]

963-39-3
[Synonyms]

ro5-2092
NSC 4607
Demoxepam
NSC-46007
NSC-46077
Ro 5-2092
NSC 169898
ro5-2092lactam
Ro 5-2092 lactam
Demoxepam solution
Nordiazepam 4-oxide
Chlordiazepoxide lactam
Chlordiazepoxide Related CoMpound A
Oxazepam Impurity 5 (Oxazepam EP Impurity E)
7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
4-benzodiazepin-2-one,1,3-dihydro-7-chloro-5-phenyl-2h-4-oxide
4-benzodiazepin-2-one,7-chloro-1,3-dihydro-5-phenyl-2h-4-oxide
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-4-oxid
1,3-dihydro-7-chloro-5-phenyl-2h-1,4-benzodiazepin-2-one4-oxide
1,3-Dihydro-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-ben-zodiazepin-2-one4-oxide
7-chloro-1,3-dihydro-5-phenyl-2h-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
7-chloro-2-oxo-5-phenyl-1.3-dihydro-2H-1.4-benzoiazepine-4-oxide
7-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one 4-oxide
7-Chloro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide
7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-one 4-oxide
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one N-oxide
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-, 4-oxide
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
7-chloro-5-phenyl-1, 3-dihydro-2H-1, 4-benzodiazpine-2-one-4-oxide
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2 -one-4-oxide [cas#963-39-3]
1,3-Dihydro-5-phenyl-7-chloro-2H-1,4-benzodiazepin-2-one-4-oxide(diazepinoneN-oxide)
Chlordiazepoxide Related Compound A (25 mg) (7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-Oxide)
CHLORDIAZEPOXIDE RELATED COMPOUND A (25 MG) (7-CHLORO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE 4-OXIDE)
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide 5-Phenyl-7-chloro-3H-1,4-benzodiazepin-2(1H)-one 4-oxide
[EINECS(EC#)]

213-515-2
[Molecular Formula]

C15H11ClN2O2
[MDL Number]

MFCD11840314
[MOL File]

963-39-3.mol
[Molecular Weight]

286.71
Chemical PropertiesBack Directory
[Melting point ]

235-236 °C (decomp)
[density ]

1.40±0.1 g/cm3(Predicted)
[Fp ]

2℃
[storage temp. ]

-20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

pKa 4.5 (Uncertain)
[color ]

White to Pale Yellow
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
[InChIKey]

PSADRZMLSXCSAS-UHFFFAOYSA-N
[SMILES]

ClC1=CC2=C(N(CC(=O)N=C2C=C1)O)c3ccccc3
[NIST Chemistry Reference]

Demoxepam(963-39-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20/21/22-36
[Safety Statements ]

16-26-36/37
[RIDADR ]

UN 1648 3 / PGII
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

2933996100
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Crystallizes (dichloromethane/hexane). Melting point 239-241°C.
[Uses]

A major metabolite of Chlordiazepoxide (C327050). A benzodiapine derivative with anticonvulsant properties.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 4, p. 647, 1967 DOI: 10.1002/jhet.5570040435
The Journal of Organic Chemistry, 26, p. 4936, 1961
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