3-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 3-Hydroxyglucoronide Xylazine

Structure Search

SMILES

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

InChI

InChIKey=CIMGGSGEQBMHJX-KSXIZUIISA-N

InChI=1S/C18H24N2O7S/c1-8-4-5-10(9(2)11(8)20-18-19-6-3-7-28-18)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h4-5,12-15,17,21-23H,3,6-7H2,1-2H3,(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	52AN34B8KE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Hydroxyglucoronide Xylazine

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

52AN34B8KE

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

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CAS

1473376-45-2

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

166451451

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

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