U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H15ClN2O2
Molecular Weight 302.756
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1,3-DIHYDRO-1-METHYL-5-(3-OXO-1-CYCLOHEXEN-1-YL)-

SMILES

CN1C2=CC=C(Cl)C=C2C(=NCC1=O)C3=CC(=O)CCC3

InChI

InChIKey=WPQAGPQFYPGLSV-UHFFFAOYSA-N
InChI=1S/C16H15ClN2O2/c1-19-14-6-5-11(17)8-13(14)16(18-9-15(19)21)10-3-2-4-12(20)7-10/h5-8H,2-4,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H15ClN2O2
Molecular Weight 302.756
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:00:56 GMT 2023
Edited
by admin
on Sat Dec 16 15:00:56 GMT 2023
Record UNII
6RSV8EG2QE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1,3-DIHYDRO-1-METHYL-5-(3-OXO-1-CYCLOHEXEN-1-YL)-
Systematic Name English
7-CHLORO-1,3-DIHYDRO-1-METHYL-5-(3-OXO-1-CYCLOHEXEN-1-YL)-2H-1,4-BENZODIAZEPIN-2-ONE
Systematic Name English
TETRAZEPAM IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
54443246
Created by admin on Sat Dec 16 15:00:56 GMT 2023 , Edited by admin on Sat Dec 16 15:00:56 GMT 2023
PRIMARY
FDA UNII
6RSV8EG2QE
Created by admin on Sat Dec 16 15:00:56 GMT 2023 , Edited by admin on Sat Dec 16 15:00:56 GMT 2023
PRIMARY
CAS
83608-70-2
Created by admin on Sat Dec 16 15:00:56 GMT 2023 , Edited by admin on Sat Dec 16 15:00:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP