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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H44N2O10
Molecular Weight 628.7099
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REPAGLINIDE ACYL-.BETA.-D-GLUCURONIDE

SMILES

CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=C(C=CC=C2)N3CCCCC3)=C1)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=HVHBBHOYIACRHO-GKKNLZSLSA-N
InChI=1S/C33H44N2O10/c1-4-43-25-17-20(12-13-22(25)32(42)45-33-29(39)27(37)28(38)30(44-33)31(40)41)18-26(36)34-23(16-19(2)3)21-10-6-7-11-24(21)35-14-8-5-9-15-35/h6-7,10-13,17,19,23,27-30,33,37-39H,4-5,8-9,14-16,18H2,1-3H3,(H,34,36)(H,40,41)/t23-,27-,28-,29+,30-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H44N2O10
Molecular Weight 628.7099
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:31:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:31:57 GMT 2025
Record UNII
BTH5V4730Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REPAGLINIDE ACYL-.BETA.-D-GLUCURONIDE
Common Name English
REPAGLINIDE (M7)
Preferred Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-ETHOXY-4-(2-(((1S)-3-METHYL-1-(2-(1-PIPERIDINYL)PHENYL)BUTYL)AMINO)-2-OXOETHYL)BENZOATE)
Systematic Name English
Code System Code Type Description
FDA UNII
BTH5V4730Z
Created by admin on Mon Mar 31 22:31:57 GMT 2025 , Edited by admin on Mon Mar 31 22:31:57 GMT 2025
PRIMARY
CAS
1309112-13-7
Created by admin on Mon Mar 31 22:31:57 GMT 2025 , Edited by admin on Mon Mar 31 22:31:57 GMT 2025
PRIMARY
PUBCHEM
71751995
Created by admin on Mon Mar 31 22:31:57 GMT 2025 , Edited by admin on Mon Mar 31 22:31:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID20858363
Created by admin on Mon Mar 31 22:31:57 GMT 2025 , Edited by admin on Mon Mar 31 22:31:57 GMT 2025
PRIMARY
Related Record Type Details
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