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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25FO10S
Molecular Weight 548.534
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULINDAC-SULFONE-GLUCURONIDE

SMILES

[H][C@@]4(OC(=O)CC1=C(C)\C(=C\C2=CC=C(C=C2)S(C)(=O)=O)C3=CC=C(F)C=C13)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=POIVPBPDRVZPSG-UBTHQZBOSA-N
InChI=1S/C26H25FO10S/c1-12-17(9-13-3-6-15(7-4-13)38(2,34)35)16-8-5-14(27)10-19(16)18(12)11-20(28)36-26-23(31)21(29)22(30)24(37-26)25(32)33/h3-10,21-24,26,29-31H,11H2,1-2H3,(H,32,33)/b17-9-/t21-,22-,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SULINDAC-SULFONE-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-FLUORO-2-METHYL-1-((4-(METHYLSULFONYL)PHENYL)METHYLENE)-1H-INDENE-3-ACETATE), (Z)-
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((1Z)-5-FLUORO-2-METHYL-1-((4-(METHYLSULFONYL)PHENYL)METHYLENE)-1H-INDENE-3-ACETATE)
Systematic Name English
Code System Code Type Description
FDA UNII
F52NEM6XFR
Created by admin on Sat Dec 16 13:30:19 GMT 2023 , Edited by admin on Sat Dec 16 13:30:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID801025910
Created by admin on Sat Dec 16 13:30:19 GMT 2023 , Edited by admin on Sat Dec 16 13:30:19 GMT 2023
PRIMARY
PUBCHEM
131637099
Created by admin on Sat Dec 16 13:30:19 GMT 2023 , Edited by admin on Sat Dec 16 13:30:19 GMT 2023
PRIMARY
CAS
60018-37-3
Created by admin on Sat Dec 16 13:30:19 GMT 2023 , Edited by admin on Sat Dec 16 13:30:19 GMT 2023
PRIMARY