METRONIDAZOLE GLUCURONIDE

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 Search

SMILES

CC1=NC=C(N1CCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[N+]([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

Molecular Formula	C12H17N3O9
Molecular Weight	347.2781
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 `Mon Mar 31 22:24:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:58 GMT 2025`
Record UNII	2Y6DYT8UW8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHYL

Preferred Name

English

METRONIDAZOLE GLUCURONIDE

Common Name

English

Code System Code Type Description

CAS

100495-98-5

Created by admin on Mon Mar 31 22:24:58 GMT 2025 , Edited by admin on Mon Mar 31 22:24:58 GMT 2025

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PUBCHEM

97301414

Created by admin on Mon Mar 31 22:24:58 GMT 2025 , Edited by admin on Mon Mar 31 22:24:58 GMT 2025

PRIMARY

EPA CompTox

DTXSID80433579

Created by admin on Mon Mar 31 22:24:58 GMT 2025 , Edited by admin on Mon Mar 31 22:24:58 GMT 2025

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FDA UNII

2Y6DYT8UW8

Created by admin on Mon Mar 31 22:24:58 GMT 2025 , Edited by admin on Mon Mar 31 22:24:58 GMT 2025

PRIMARY

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METRONIDAZOLE

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