U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N2O2S
Molecular Weight 252.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Xylazine sulfone

SMILES

CC1=CC=CC(C)=C1NC2=NCCCS2(=O)=O

InChI

InChIKey=KDYHYUCBMNNNCG-UHFFFAOYSA-N
InChI=1S/C12H16N2O2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-17(12,15)16/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H16N2O2S
Molecular Weight 252.333
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:30:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:30:48 GMT 2023
Record UNII
P96GBF7HMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Xylazine sulfone
Common Name English
4H-1,3-Thiazin-2-amine, N-(2,6-dimethylphenyl)-5,6-dihydro-, 1,1-dioxide
Systematic Name English
Code System Code Type Description
FDA UNII
P96GBF7HMK
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
1473376-47-4
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
166451450
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
PARENT -> METABOLITE
MINOR
URINE