U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry EPIMERIC
Molecular Formula C19H17NO3S
Molecular Weight 339.408
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAZAROTENIC ACID SULFOXIDE

SMILES

CC1(C)CC[S+]([O-])C2=CC=C(C=C12)C#CC3=CC=C(C=N3)C(O)=O

InChI

InChIKey=SMCJVZRFBIOWHW-UHFFFAOYSA-N
InChI=1S/C19H17NO3S/c1-19(2)9-10-24(23)17-8-4-13(11-16(17)19)3-6-15-7-5-14(12-20-15)18(21)22/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H17NO3S
Molecular Weight 339.408
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 Mon Mar 31 22:16:52 GMT 2025
Edited
by admin
on Mon Mar 31 22:16:52 GMT 2025
Record UNII
W749S0254J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAZAROTENIC ACID SULFOXIDE
Common Name English
3-PYRIDINECARBOXYLIC ACID, 6-(2-(3,4-DIHYDRO-4,4-DIMETHYL-1-OXIDO-2H-1-BENZOTHIOPYRAN-6-YL)ETHYNYL)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID50735931
Created by admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
PRIMARY
PUBCHEM
66870917
Created by admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
PRIMARY
CAS
603952-64-3
Created by admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
PRIMARY
FDA UNII
W749S0254J
Created by admin on Mon Mar 31 22:16:52 GMT 2025 , Edited by admin on Mon Mar 31 22:16:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE