Analyte Name

N-Trifluoroacetamido Mirabegron O-Glucuronide Triacetate

Molecular Formula

C36 H39 F3 N4 O12 S

Molecular Weight

808.775

Accurate Mass

808.224

SMILES

COC(=O)[C@H]1O[C@@H](O[C@@H](CN(CCc2ccc(NC(=O)Cc3csc(N)n3)cc2)C(=O)C(F)(F)F)c4ccccc4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C36H39F3N4O12S/c1-19(44)51-28-29(52-20(2)45)31(53-21(3)46)33(55-30(28)32(48)50-4)54-26(23-8-6-5-7-9-23)17-43(34(49)36(37,38)39)15-14-22-10-12-24(13-11-22)41-27(47)16-25-18-56-35(40)42-25/h5-13,18,26,28-31,33H,14-17H2,1-4H3,(H2,40,42)(H,41,47)/t26-,28-,29-,30-,31+,33+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R)-2-[2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethyl-(2,2,2-trifluoroacetyl)amino]-1-phenylethoxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat