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Details

Stereochemistry EPIMERIC
Molecular Formula C26H25FO10S
Molecular Weight 548.534
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULINDAC-GLUCURONIDE

SMILES

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

InChI

InChIKey=DRQCEMNCLABGIH-UIBISZHNSA-N
InChI=1S/C26H25FO10S/c1-38(35)14-5-2-12(3-6-14)8-16-15-7-4-13(27)9-17(15)18(19(16)11-28)10-20(29)36-26-23(32)21(30)22(31)24(37-26)25(33)34/h2-9,21-24,26,28,30-32H,10-11H2,1H3,(H,33,34)/b16-8+/t21-,22-,23+,24-,26+,38?/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H25FO10S
Molecular Weight 548.534
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:30:19 UTC 2023
Edited
by admin
on Sat Dec 16 13:30:19 UTC 2023
Record UNII
V2VX8U6BY6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULINDAC-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2-((3E)-6-FLUORO-2-(HYDROXYMETHYL)-3-((4-METHYLSULFINYLPHENYL)METHYLENE)INDEN-1-YL)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-FLUORO-2-METHYL-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-1H-INDENE-3-ACETATE), (Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596388
Created by admin on Sat Dec 16 13:30:19 UTC 2023 , Edited by admin on Sat Dec 16 13:30:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID101025907
Created by admin on Sat Dec 16 13:30:19 UTC 2023 , Edited by admin on Sat Dec 16 13:30:19 UTC 2023
PRIMARY
FDA UNII
V2VX8U6BY6
Created by admin on Sat Dec 16 13:30:19 UTC 2023 , Edited by admin on Sat Dec 16 13:30:19 UTC 2023
PRIMARY
CAS
60018-36-2
Created by admin on Sat Dec 16 13:30:19 UTC 2023 , Edited by admin on Sat Dec 16 13:30:19 UTC 2023
PRIMARY
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