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

Details

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

SHOW SMILES / InChI
Structure of 1'-HYDROXYMIDAZOLAM GLUCURONIDE

SMILES

O[C@H]1[C@H](O)[C@@H](OCC2=CN=C3CN=C(C4=CC(Cl)=CC=C4N23)C5=C(F)C=CC=C5)O[C@H]([C@@H]1O)C(O)=O

InChI

InChIKey=HWVUINCIZMHCQG-AREVGRJGSA-N
InChI=1S/C24H21ClFN3O7/c25-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)26)28-9-17-27-8-12(29(16)17)10-35-24-21(32)19(30)20(31)22(36-24)23(33)34/h1-8,19-22,24,30-32H,9-10H2,(H,33,34)/t19-,20-,21+,22-,24+/m1/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:53:18 GMT 2023
Edited
by admin
on Sat Dec 16 13:53:18 GMT 2023
Record UNII
3EYB2R97A9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-HYDROXYMIDAZOLAM GLUCURONIDE
Common Name English
(8-CHLORO-6-(2-FLUOROPHENYL)-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-1-YL)METHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (8-CHLORO-6-(2-FLUOROPHENYL)-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-1-YL)METHYL
Systematic Name English
Code System Code Type Description
PUBCHEM
155804668
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY PUBCHEM
CAS
81256-81-7
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY Scifinder
FDA UNII
3EYB2R97A9
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID301001880
Created by admin on Sat Dec 16 13:53:18 GMT 2023 , Edited by admin on Sat Dec 16 13:53:18 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
Related Record Type Details
PARENT -> METABOLITE