Analyte Name

Solabegron Acyl Glucuronide-d4

Molecular Formula

C29 D4 H27 Cl N2 O9

Molecular Weight

591.042

Accurate Mass

590.197

SMILES

[2H]C([2H])(NC[C@H](O)c1cccc(Cl)c1)C([2H])([2H])Nc2cccc(c2)c3cccc(c3)C(=O)O[C@@H]4O[C@@H]([C@@H](O)C(O)[C@H]4O)C(=O)O

InChI

InChI=1S/C29H31ClN2O9/c30-20-8-2-6-18(13-20)22(33)15-31-10-11-32-21-9-3-5-17(14-21)16-4-1-7-19(12-16)28(39)41-29-25(36)23(34)24(35)26(40-29)27(37)38/h1-9,12-14,22-26,29,31-36H,10-11,15H2,(H,37,38)/t22-,23?,24-,25+,26-,29-/m0/s1/i10D2,11D2

IUPAC

(2S,3S,5R,6S)-6-[3-[3-[[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1,1,2,2-tetradeuterioethyl]amino]phenyl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat