(Q27293379)

Carvedilol Glucuronide (English)

14 October 2016

chemical formula

C₃₀H₃₄N₂O₁₀

1 reference

Carvedilol Glucuronide (English)

14 October 2016

canonical SMILES

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

Carvedilol Glucuronide (English)

14 October 2016

isomeric SMILES

COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

1 reference

Carvedilol Glucuronide (English)

InChI=1S/C30H34N2O10/c1-38-21-10-4-5-11-22(21)39-14-13-31-15-17(41-30-27(35)25(33)26(34)28(42-30)29(36)37)16-40-23-12-6-9-20-24(23)18-7-2-3-8-19(18)32-20/h2-12,17,25-28,30-35H,13-16H2,1H3,(H,36,37)/t17?,25-,26-,27+,28-,30+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Carvedilol Glucuronide (English)

PUVQFGCELBOSRN-VKTJNCFWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Carvedilol Glucuronide (English)

14 October 2016

1 reference

UNII

X2494I96FS

carvedilol glucuronide (English)

14 October 2016

1 reference

1-(9H-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}-2-propanyl beta-D-glucopyranosiduronic acid (English)

14 October 2016

1 reference

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

Carvedilol Glucuronide (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

X2494I96FS

carvedilol glucuronide (English)