5-Hydroxymethyl Tolterodine beta-D-Glucuronide

Analyte Name

(2S,3S,4S,5R,6S)-6-[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Number

210573-52-7

Molecular Formula

C28 H39 N O8

Molecular Weight

517.611

Accurate Mass

517.268

SMILES

CC(C)N(CC[C@H](c1ccccc1)c2cc(CO)ccc2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(C)C

InChI

InChI=1S/C28H39NO8/c1-16(2)29(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-30)10-11-22(21)36-28-25(33)23(31)24(32)26(37-28)27(34)35/h5-11,14,16-17,20,23-26,28,30-33H,12-13,15H2,1-4H3,(H,34,35)/t20-,23+,24+,25-,26+,28-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat