4-Hydroxyglucoronide Xylazine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24N2O7S
Molecular Weight	412.457
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Hydroxyglucoronide Xylazine

Structure Search

SMILES

CC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(C)=C1NC3=NCCCS3

InChI

InChIKey=HEUCQDMJQCGNQV-KSXIZUIISA-N

InChI=1S/C18H24N2O7S/c1-8-6-10(7-9(2)11(8)20-18-19-4-3-5-28-18)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h6-7,12-15,17,21-23H,3-5H2,1-2H3,(H,19,20)(H,24,25)/t12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H24N2O7S
Molecular Weight	412.457
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 Dec 16 19:30:49 GMT 2023` Edited by `admin` on `Sat Dec 16 19:30:49 GMT 2023`
Record UNII	R25JGF8AQK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-Hydroxyglucoronide Xylazine

Common Name

English

4-[(5,6-Dihydro-4H-1,3-thiazin-2-yl)amino]-2,4-dimethylphenyl β-D-glucopyranosiduronic acid

Systematic Name

English

β-D-Glucopyranosiduronic acid, 4-[(5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3,5-dimethylphenyl

Systematic Name

English

Code System Code Type Description

FDA UNII

R25JGF8AQK

Created by admin on Sat Dec 16 19:30:49 GMT 2023 , Edited by admin on Sat Dec 16 19:30:49 GMT 2023

PRIMARY

PUBCHEM

166451452

Created by admin on Sat Dec 16 19:30:49 GMT 2023 , Edited by admin on Sat Dec 16 19:30:49 GMT 2023

PRIMARY

CAS

1473376-42-9

Created by admin on Sat Dec 16 19:30:49 GMT 2023 , Edited by admin on Sat Dec 16 19:30:49 GMT 2023

PRIMARY

Related Record Type Details


					2KFG9TP5V8

XYLAZINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: