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

Details

Stereochemistry UNKNOWN
Molecular Formula C16H11ClN4O
Molecular Weight 310.738
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYESTAZOLAM

SMILES

OC1N=C(C2=CC=CC=C2)C3=CC(Cl)=CC=C3N4C=NN=C14

InChI

InChIKey=LJIJJCXFWLORDQ-UHFFFAOYSA-N
InChI=1S/C16H11ClN4O/c17-11-6-7-13-12(8-11)14(10-4-2-1-3-5-10)19-16(22)15-20-18-9-21(13)15/h1-9,16,22H

HIDE SMILES / InChI

Molecular Formula C16H11ClN4O
Molecular Weight 310.738
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:13:10 UTC 2023
Edited
by admin
on Fri Jul 07 00:13:10 UTC 2023
Record UNII
5EMY6HB5FL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYESTAZOLAM
Common Name English
8-CHLORO-6-PHENYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-4-OL
Systematic Name English
4H-S-TRIAZOLO(4.3-A)(1,4)BENZODIAZEPIN-4-OL, 8-CHLORO-6-PHENYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
11666741
Created by admin on Fri Jul 07 00:13:11 UTC 2023 , Edited by admin on Fri Jul 07 00:13:11 UTC 2023
PRIMARY
CAS
30896-56-1
Created by admin on Fri Jul 07 00:13:11 UTC 2023 , Edited by admin on Fri Jul 07 00:13:11 UTC 2023
PRIMARY
FDA UNII
5EMY6HB5FL
Created by admin on Fri Jul 07 00:13:11 UTC 2023 , Edited by admin on Fri Jul 07 00:13:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID50470310
Created by admin on Fri Jul 07 00:13:11 UTC 2023 , Edited by admin on Fri Jul 07 00:13:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Minor metabolite