repaglinide acyl-β-D-glucuronide (Q27274875)

UNII-BTH5V4730Z (English)

14 October 2016

chemical formula

C₃₃H₄₄N₂O₁₀

1 reference

UNII-BTH5V4730Z (English)

14 October 2016

canonical SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O

1 reference

UNII-BTH5V4730Z (English)

14 October 2016

isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

1 reference

UNII-BTH5V4730Z (English)

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

14 October 2016

Identifiers

InChI

1 reference

UNII-BTH5V4730Z (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-BTH5V4730Z (English)

14 October 2016

1 reference

UNII

BTH5V4730Z

repaglinide acyl-β-D-glucuronide (English)

14 October 2016

1 reference

1-O-{2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoyl}-beta-D-glucopyranuronic acid (English)

14 October 2016

2 references

UNII-BTH5V4730Z (English)

matched by identifier from

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL3526588 (English)

14 October 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

BTH5V4730Z

repaglinide acyl-β-D-glucuronide (English)

matched by identifier from

14 October 2016