Analyte Name

Silodosin beta-D-Glucuronide N-Carboxybenzyl O-Methyl Tri-acetate

CAS Number

879292-21-4

Molecular Formula

C46H54F3N3O15

Molecular Weight

945.93

Accurate Mass

945.3507

SMILES

COC(=O)[C@H]1O[C@@H](OCCCN2CCc3cc(C[C@@H](C)N(CCOc4ccccc4OCC(F)(F)F)C(=O)OCc5ccccc5)cc(C(=O)N)c23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C46H54F3N3O15/c1-27(52(45(58)62-25-31-12-7-6-8-13-31)19-21-60-35-14-9-10-15-36(35)63-26-46(47,48)49)22-32-23-33-16-18-51(37(33)34(24-32)42(50)56)17-11-20-61-44-41(66-30(4)55)39(65-29(3)54)38(64-28(2)53)40(67-44)43(57)59-5/h6-10,12-15,23-24,27,38-41,44H,11,16-22,25-26H2,1-5H3,(H2,50,56)/t27-,38+,39+,40+,41-,44-/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-[7-carbamoyl-5-[(2R)-2-[phenylmethoxycarbonyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-2,3-dihydroindol-1-yl]propoxy]oxane-2-carboxylate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat