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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

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

Approval Year

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
PRIMARY
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