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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N3O9
Molecular Weight 347.2781
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METRONIDAZOLE GLUCURONIDE

SMILES

[H][C@@]2(OCCN1C(C)=NC=C1[N+]([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=KOVNZSSTXZPVCG-GOVZDWNOSA-N
InChI=1S/C12H17N3O9/c1-5-13-4-6(15(21)22)14(5)2-3-23-12-9(18)7(16)8(17)10(24-12)11(19)20/h4,7-10,12,16-18H,2-3H2,1H3,(H,19,20)/t7-,8-,9+,10-,12+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METRONIDAZOLE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHYL
Systematic Name English
Code System Code Type Description
CAS
100495-98-5
Created by admin on Sat Dec 16 08:58:55 GMT 2023 , Edited by admin on Sat Dec 16 08:58:55 GMT 2023
PRIMARY
PUBCHEM
97301414
Created by admin on Sat Dec 16 08:58:55 GMT 2023 , Edited by admin on Sat Dec 16 08:58:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID80433579
Created by admin on Sat Dec 16 08:58:55 GMT 2023 , Edited by admin on Sat Dec 16 08:58:55 GMT 2023
PRIMARY
FDA UNII
2Y6DYT8UW8
Created by admin on Sat Dec 16 08:58:55 GMT 2023 , Edited by admin on Sat Dec 16 08:58:55 GMT 2023
PRIMARY