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

Details

Stereochemistry MIXED
Molecular Formula C24H27NO8S2
Molecular Weight 521.6062
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TROGLITAZONE SULFATE ESTER

SMILES

Cc1c(C)c2c(CCC(C)(COc3ccc(cc3)CC4C(=NC(=O)S4)O)O2)c(C)c1OS(=O)(=O)O

InChI

InChIKey=MTCJRDKAPLOLHD-UHFFFAOYSA-N
InChI=1S/C24H27NO8S2/c1-13-14(2)21-18(15(3)20(13)33-35(28,29)30)9-10-24(4,32-21)12-31-17-7-5-16(6-8-17)11-19-22(26)25-23(27)34-19/h5-8,19H,9-12H2,1-4H3,(H,25,26,27)(H,28,29,30)

HIDE SMILES / InChI

Molecular Formula C24H27NO8S2
Molecular Weight 521.6062
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:53:20 UTC 2021
Edited
by admin
on Sat Jun 26 07:53:20 UTC 2021
Record UNII
E6SH3NO0FM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TROGLITAZONE SULFATE ESTER
Common Name English
ROY-1357
Code English
TROGLITAZONE SULFATE
Common Name English
5-((4-((3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-6-(SULFOOXY)-2H-1-BENZOPYRAN-2-YL)METHOXY)PHENYL)METHYL)-2,4-THIAZOLIDINEDIONE
Common Name English
Code System Code Type Description
FDA UNII
E6SH3NO0FM
Created by admin on Sat Jun 26 07:53:21 UTC 2021 , Edited by admin on Sat Jun 26 07:53:21 UTC 2021
PRIMARY
PUBCHEM
10229833
Created by admin on Sat Jun 26 07:53:21 UTC 2021 , Edited by admin on Sat Jun 26 07:53:21 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE