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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O9
Molecular Weight 426.4575
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMFIBROZIL 1-O-.BETA.-GLUCURONIDE

SMILES

CC1=CC=C(C)C(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1

InChI

InChIKey=CJMNXSKEVNPQOK-LVEJAMMSSA-N
InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O9
Molecular Weight 426.4575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 15:05:44 UTC 2019
Edited
by admin
on Tue Oct 22 15:05:44 UTC 2019
Record UNII
954F30WZ3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GEMFIBROZIL 1-O-.BETA.-GLUCURONIDE
Common Name English
GEMFIBROZIL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(2,5-DIMETHYLPHENOXY)-2,2-DIMETHYLPENTANOATE)
Common Name English
Code System Code Type Description
CAS
91683-38-4
Created by admin on Tue Oct 22 15:05:44 UTC 2019 , Edited by admin on Tue Oct 22 15:05:44 UTC 2019
PRIMARY
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