U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry EPIMERIC
Molecular Formula C24H21ClFN3O7
Molecular Weight 517.891
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYMIDAZOLAM GLUCURONIDE

SMILES

CC1=NC=C2C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)N=C(C4=CC=CC=C4F)C5=CC(Cl)=CC=C5N12

InChI

InChIKey=MPHAZAPYEZYBRV-UOPHVPOOSA-N
InChI=1S/C24H21ClFN3O7/c1-10-27-9-16-22(36-24-20(32)18(30)19(31)21(35-24)23(33)34)28-17(12-4-2-3-5-14(12)26)13-8-11(25)6-7-15(13)29(10)16/h2-9,18-22,24,30-32H,1H3,(H,33,34)/t18-,19-,20+,21-,22?,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H21ClFN3O7
Molecular Weight 517.891
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:03:08 GMT 2025
Edited
by admin
on Wed Apr 02 05:03:08 GMT 2025
Record UNII
D7MBM57ULU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-4-YL
Preferred Name English
4-HYDROXYMIDAZOLAM GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
71777598
Created by admin on Wed Apr 02 05:03:08 GMT 2025 , Edited by admin on Wed Apr 02 05:03:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID70857806
Created by admin on Wed Apr 02 05:03:08 GMT 2025 , Edited by admin on Wed Apr 02 05:03:08 GMT 2025
PRIMARY
FDA UNII
D7MBM57ULU
Created by admin on Wed Apr 02 05:03:08 GMT 2025 , Edited by admin on Wed Apr 02 05:03:08 GMT 2025
PRIMARY
CHEBI
145335
Created by admin on Wed Apr 02 05:03:08 GMT 2025 , Edited by admin on Wed Apr 02 05:03:08 GMT 2025
PRIMARY
CAS
81256-82-8
Created by admin on Wed Apr 02 05:03:08 GMT 2025 , Edited by admin on Wed Apr 02 05:03:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE