Analyte Name

Silodosin-d4 beta-D-Glucuronide Sodium Salt

Molecular Formula

C31 D4 H35 F3 N3 Na O10

Molecular Weight

697.665

Accurate Mass

697.274

SMILES

[2H]C([2H])(N[C@H](C)Cc1cc2CCN(CCCO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O[Na])c2c(c1)C(=O)N)C([2H])([2H])Oc4ccccc4OCC(F)(F)F

InChI

InChI=1S/C31H40F3N3O10.Na/c1-17(36-8-12-44-21-5-2-3-6-22(21)46-16-31(32,33)34)13-18-14-19-7-10-37(23(19)20(15-18)28(35)41)9-4-11-45-30-26(40)24(38)25(39)27(47-30)29(42)43;/h2-3,5-6,14-15,17,24-27,30,36,38-40H,4,7-13,16H2,1H3,(H2,35,41)(H,42,43);/q;+1/p-1/t17-,24+,25+,26-,27+,30-;/m1./s1/i8D2,12D2;

IUPAC

[(2S,3S,4S,5R,6R)-6-[3-[7-carbamoyl-5-[(2R)-2-[[1,1,2,2-tetradeuterio-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-2,3-dihydroindol-1-yl]propoxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Unlabelled CAS Number

879292-24-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat