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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H21ClFN3O7
Molecular Weight 517.8917
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-HYDROXYMIDAZOLAM GLUCURONIDE

SMILES

c1ccc(c(c1)C2=NCc3ncc(CO[C@]4([H])[C@]([H])([C@@]([H])([C@]([H])([C@]([H])(C(=O)O)O4)O)O)O)n3-c5ccc(cc52)Cl)F

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 517.8917
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 Jun 26 11:30:39 UTC 2021
Edited
by admin
on Sat Jun 26 11:30:39 UTC 2021
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 Jun 26 11:30:39 UTC 2021 , Edited by admin on Sat Jun 26 11:30:39 UTC 2021
PRIMARY PUBCHEM
CAS
81256-81-7
Created by admin on Sat Jun 26 11:30:39 UTC 2021 , Edited by admin on Sat Jun 26 11:30:39 UTC 2021
PRIMARY Scifinder
FDA UNII
3EYB2R97A9
Created by admin on Sat Jun 26 11:30:39 UTC 2021 , Edited by admin on Sat Jun 26 11:30:39 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
Related Record Type Details
PARENT -> METABOLITE