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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15ClN2O4
Molecular Weight 334.754
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-CHLORO-5-((3S,4S)-3,4-DIHYDROXYCYCLOHEXA-1,5-DIEN-1-YL)-1-METHYL-1,5-BENZODIAZEPINE-2,4-DIONE

SMILES

CN1C2=CC=C(Cl)C=C2N(C3=C[C@H](O)[C@@H](O)C=C3)C(=O)CC1=O

InChI

InChIKey=RDKDBHWMOPVLNX-KBPBESRZSA-N
InChI=1S/C16H15ClN2O4/c1-18-11-4-2-9(17)6-12(11)19(16(23)8-15(18)22)10-3-5-13(20)14(21)7-10/h2-7,13-14,20-21H,8H2,1H3/t13-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H15ClN2O4
Molecular Weight 334.754
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:45:39 GMT 2023
Edited
by admin
on Sat Dec 16 14:45:39 GMT 2023
Record UNII
J23P2PNC69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-CHLORO-5-((3S,4S)-3,4-DIHYDROXYCYCLOHEXA-1,5-DIEN-1-YL)-1-METHYL-1,5-BENZODIAZEPINE-2,4-DIONE
Systematic Name English
1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE, 7-CHLORO-5-(3,4-DIHYDROXY-1,5-CYCLOHEXADIEN-1-YL)-1-METHYL-, TRANS-
Systematic Name English
CLOBAZAM METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
156028120
Created by admin on Sat Dec 16 14:45:39 GMT 2023 , Edited by admin on Sat Dec 16 14:45:39 GMT 2023
PRIMARY
CAS
70643-22-0
Created by admin on Sat Dec 16 14:45:39 GMT 2023 , Edited by admin on Sat Dec 16 14:45:39 GMT 2023
PRIMARY
FDA UNII
J23P2PNC69
Created by admin on Sat Dec 16 14:45:39 GMT 2023 , Edited by admin on Sat Dec 16 14:45:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE