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

Details

Stereochemistry RACEMIC
Molecular Formula C18H19N3O4S
Molecular Weight 373.426
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-HYDROXY ROSIGLITAZONE

SMILES

CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C3=CC=C(O)C=N3

InChI

InChIKey=AGQGGZNSVNKGDU-UHFFFAOYSA-N
InChI=1S/C18H19N3O4S/c1-21(16-7-4-13(22)11-19-16)8-9-25-14-5-2-12(3-6-14)10-15-17(23)20-18(24)26-15/h2-7,11,15,22H,8-10H2,1H3,(H,20,23,24)

HIDE SMILES / InChI

Molecular Formula C18H19N3O4S
Molecular Weight 373.426
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:47:46 UTC 2023
Edited
by admin
on Sat Dec 16 09:47:46 UTC 2023
Record UNII
005173PK6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-HYDROXY ROSIGLITAZONE
Common Name English
PARA-HYDROXY ROSIGLITAZONE
Common Name English
2,4-THIAZOLIDINEDIONE, 5-((4-(2-((5-HYDROXY-2-PYRIDINYL)METHYLAMINO)ETHOXY)PHENYL)METHYL)-
Systematic Name English
5-(4-(2-((5-HYDROXYPYRIDIN-2-YL)METHYLAMINO)ETHOXY)BENZYL)THIAZOLIDINE-2,4-DIONE
Systematic Name English
5-((4-(2-((5-HYDROXY-2-PYRIDYL)-METHYL-AMINO)ETHOXY)PHENYL)METHYL)THIAZOLIDINE-2,4-DIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80432067
Created by admin on Sat Dec 16 09:47:46 UTC 2023 , Edited by admin on Sat Dec 16 09:47:46 UTC 2023
PRIMARY
PUBCHEM
9864316
Created by admin on Sat Dec 16 09:47:46 UTC 2023 , Edited by admin on Sat Dec 16 09:47:46 UTC 2023
PRIMARY
FDA UNII
005173PK6V
Created by admin on Sat Dec 16 09:47:46 UTC 2023 , Edited by admin on Sat Dec 16 09:47:46 UTC 2023
PRIMARY
CAS
257883-22-0
Created by admin on Sat Dec 16 09:47:46 UTC 2023 , Edited by admin on Sat Dec 16 09:47:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR