solifenacin N1-glucuronide (Q27289261)

UNII-SLB9733RQR (English)

14 October 2016

chemical formula

C₂₉H₃₅N₂O₈⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C[N+]2(CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5)C6C(C(C(C(O6)C(=O)O)O)O)O

1 reference

UNII-SLB9733RQR (English)

14 October 2016

isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

1 reference

UNII-SLB9733RQR (English)

InChI=1S/C29H34N2O8/c32-23-24(33)26(28(35)36)39-27(25(23)34)31-14-11-18(12-15-31)21(16-31)38-29(37)30-13-10-17-6-4-5-9-20(17)22(30)19-7-2-1-3-8-19/h1-9,18,21-27,32-34H,10-16H2/p+1/t18?,21-,22-,23-,24-,25+,26-,27+,31?/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-SLB9733RQR (English)

DWEUKTDDWGFPKH-DMUZNFSWSA-O

14 October 2016

InChIKey

1 reference

UNII-SLB9733RQR (English)

14 October 2016

1 reference

(3R)-1-(beta-D-Glucopyranuronosyl)-3-({[(1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octane (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-SLB9733RQR (English)

14 October 2016

1 reference

2 references

UNII

SLB9733RQR

solifenacin N1-glucuronide (English)