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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11ClN2O2
Molecular Weight 286.713
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMOXEPAM

SMILES

[O-][N+]1=C(C2=CC=CC=C2)C3=C(NC(=O)C1)C=CC(Cl)=C3

InChI

InChIKey=GGRWZBVSUZZMKS-UHFFFAOYSA-N
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/h1-8H,9H2,(H,17,19)

HIDE SMILES / InChI
Molecular Formula C15H11ClN2O2
Molecular Weight 286.713
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:02:53 UTC 2023
Edited
by admin
on Fri Dec 15 19:02:53 UTC 2023
Record UNII
8X1XP5M0SB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMOXEPAM
INN   USAN  
USAN   INN  
Official Name English
7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
Systematic Name English
CHLORDIAZEPOXIDE LACTAM
Common Name English
7-CHLORO-2,3-DIHYDRO-5-PHENYL-1H-1,4-BENZODIAZEPIN-2-ONE 4-OXIDE
Systematic Name English
5-PHENYL-7-CHLORO-3H-1,4-BENZODIAZEPIN-2(1H)-ONE 4-OXIDE
Systematic Name English
OXAZEPAM IMPURITY E [EP IMPURITY]
Common Name English
NSC-169898
Code English
NSC-46077
Code English
7-CHLORO-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE 4-OXIDE
Systematic Name English
RO 5-2092
Code English
demoxepam [INN]
Common Name English
NSC-46007
Code English
RO-52092
Code English
CHLORDIAZEPOXIDE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
CHLORDIAZEPOXIDE IMPURITY A [EP IMPURITY]
Common Name English
RO-5-2092
Code English
DEMOXEPAM [USAN]
Common Name English
2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1,3-DIHYDRO-5-PHENYL-, 4-OXIDE
Systematic Name English
CHLORDIAZEPOXIDE RELATED COMPOUND A
USP   USP-RS  
Common Name English
CHLORDIAZEPOXIDE RELATED COMPOUND A [USP-RS]
Common Name English
CHLORDIAZEPOXIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL1597677
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
NSC
46007
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
RS_ITEM_NUM
1110020
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
NSC
169898
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
WIKIPEDIA
DEMOXEPAM
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
INN
2850
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
NCI_THESAURUS
C171701
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
ECHA (EC/EINECS)
213-515-2
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
SMS_ID
100000083714
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
NSC
46077
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
FDA UNII
8X1XP5M0SB
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID4046155
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
CAS
963-39-3
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
EVMPD
SUB06970MIG
Created by admin on Fri Dec 15 19:02:54 UTC 2023 , Edited by admin on Fri Dec 15 19:02:54 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Related Record Type Details
Structure of 4-HYDROXYDEMOXEPAM
METABOLITE -> PARENT
Structure of 9-HYDROXYDEMOXEPAM
METABOLITE -> PARENT
Structure of NORCHLORDIAZEPOXIDE
PARENT -> METABOLITE ACTIVE
Chlordiazepoxide-> Norchlordiazepoxide-> Demoxepam
ASSAY (HPLC)
Scientific Literature
Structure of GLYCINE, N-((2-AMINO-5-CHLOROPHENYL)PHENYLMETHYLENE)-, N-OXIDE
METABOLITE -> PARENT
Related Record Type Details
Structure of OXAZEPAM
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of CHLORDIAZEPOXIDE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of CHLORDIAZEPOXIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP
Related Record Type Details
Structure of DEMOXEPAM
ACTIVE MOIETY
NIH
NCATS
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