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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=C(F)C=CC=C4)C5=C(C=CC(Cl)=C5)N12

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 Sat Dec 16 15:16:05 GMT 2023
Edited
by admin
on Sat Dec 16 15:16:05 GMT 2023
Record UNII
D7MBM57ULU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYMIDAZOLAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-4-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
71777598
Created by admin on Sat Dec 16 15:16:05 GMT 2023 , Edited by admin on Sat Dec 16 15:16:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID70857806
Created by admin on Sat Dec 16 15:16:05 GMT 2023 , Edited by admin on Sat Dec 16 15:16:05 GMT 2023
PRIMARY
FDA UNII
D7MBM57ULU
Created by admin on Sat Dec 16 15:16:05 GMT 2023 , Edited by admin on Sat Dec 16 15:16:05 GMT 2023
PRIMARY
CHEBI
145335
Created by admin on Sat Dec 16 15:16:05 GMT 2023 , Edited by admin on Sat Dec 16 15:16:05 GMT 2023
PRIMARY
CAS
81256-82-8
Created by admin on Sat Dec 16 15:16:05 GMT 2023 , Edited by admin on Sat Dec 16 15:16:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE