2-Oxoquazepam

HCID 93250
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Basic information

CAS
49606-44-2
Standard SMILES
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(F)(F)F
InChIKey
YFSXBSRGIRSXAD-UHFFFAOYSA-N
Molecular formula
C17H11ClF4N2O
Average molar mass
370.7 g/mol
Monoisotopic mass
370.04960353

Overview

quazepam metabolite; structure given in first source

Names & identifiers

Preferred name
2-Oxoquazepam
IUPAC
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
English name
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one
Molecular formula
C17H11ClF4N2O
Molecular weight
370.73

Names & synonyms

2-Oxoquazepam49606-44-2Sch 15725SCH-157258T62S796K7DTXSID301979327-CHLORO-1-(2,2,2-TRIFLUOROETHYL)-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2H-1,4-BENZODIAZEPIN-2-ONE2oxoquazRefChem:88950DTXCID90120423Sch 15-725Sch-15-725
Show more names
Einecs 256-396-2Quazepam Impurity 12-chloro-2-phenylethanamineQuazepam USP Related Compound A(E)-7-Chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-1H-benzo[e][1,4]diazepin-2(3H)-one
256-396-27-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one2-Desthio-2-oxo Selapam7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one,7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-OXOQUAZEPAMC17H11ClF4N2OUNII-8T62S796K7

Database identifiers

CAS
49606-44-2
PubChem CID
93250
DTXSID
DTXSID30197932
UNII
8T62S796K7
EC Number
256-396-2
Nikkaji
J247.930C

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
32.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
25

Physicochemical properties

solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid
color
Off-White to Light Brown
FDA UNII
8 T62S796K7 · 8T62S796K7
HS Code
2933997500 · 2933997500

Safety & regulation

Safety data

hs_code
2933997500

Chemistry & industry

Pharmacology

Metabolism/Metabolites2-oxoquazepam has known human metabolites that include 3-Hydroxy-2-oxoquazepam and N-Desalkyl-2-oxoquazepam.
Applications · 1 item

Uses2-Desthio-2-oxo Selapam is a compound related to Selapam (S253000), a benzodiazepine derivative drug and is known to bind nonspecifically to benzodiazepine receptors, which affects muscle relaxation, anticonvulsant activty, motor coordination and memory.

Suppliers6 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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