ORNIDAZOLE-O-GLUCURONIDE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H18ClN3O9
Molecular Weight	395.75
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ORNIDAZOLE-O-GLUCURONIDE, (S)-

Structure Search

SMILES

[H][C@@]2(O[C@H](CCl)CN1C(C)=NC=C1[N+]([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=KBQRFMVIJNGKLT-MYFDYOBUSA-N

InChI=1S/C13H18ClN3O9/c1-5-15-3-7(17(23)24)16(5)4-6(2-14)25-13-10(20)8(18)9(19)11(26-13)12(21)22/h3,6,8-11,13,18-20H,2,4H2,1H3,(H,21,22)/t6-,8+,9+,10-,11+,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C13H18ClN3O9
Molecular Weight	395.75
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:36 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:36 GMT 2023`
Record UNII	Y77F75RGX7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORNIDAZOLE-O-GLUCURONIDE, (S)-

Common Name

English

ORNIDAZOLE METABOLITE M16-1

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

145996581

Created by admin on Sat Dec 16 15:40:36 GMT 2023 , Edited by admin on Sat Dec 16 15:40:36 GMT 2023

PRIMARY

FDA UNII

Y77F75RGX7

Created by admin on Sat Dec 16 15:40:36 GMT 2023 , Edited by admin on Sat Dec 16 15:40:36 GMT 2023

PRIMARY

CAS

1452525-17-5

Created by admin on Sat Dec 16 15:40:36 GMT 2023 , Edited by admin on Sat Dec 16 15:40:36 GMT 2023

PRIMARY

Related Record Type Details


					62XCK0G93T

ORNIDAZOLE

PARENT -> METABOLITE

Qualification:

URINE