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Details

Stereochemistry EPIMERIC
Molecular Formula C19H17NO3S
Molecular Weight 339.41
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAZAROTENIC ACID SULFOXIDE

SMILES

CC1(C)CCS(=O)c2ccc(C#Cc3ccc(cn3)C(=O)O)cc21

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 339.41
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 Jun 26 03:18:17 UTC 2021
Edited
by admin
on Sat Jun 26 03:18:17 UTC 2021
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)-
Systematic Name English
Code System Code Type Description
EPA CompTox
603952-64-3
Created by admin on Sat Jun 26 03:18:17 UTC 2021 , Edited by admin on Sat Jun 26 03:18:17 UTC 2021
PRIMARY
PUBCHEM
66870917
Created by admin on Sat Jun 26 03:18:17 UTC 2021 , Edited by admin on Sat Jun 26 03:18:17 UTC 2021
PRIMARY
CAS
603952-64-3
Created by admin on Sat Jun 26 03:18:17 UTC 2021 , Edited by admin on Sat Jun 26 03:18:17 UTC 2021
PRIMARY
FDA UNII
W749S0254J
Created by admin on Sat Jun 26 03:18:17 UTC 2021 , Edited by admin on Sat Jun 26 03:18:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
FECAL; URINE