Bazedoxifene 5-beta-D-Glucuronide

Nazwa analitu

Bazedoxifene 5-beta-D-Glucuronide

Numer CAS

328933-56-8

Wzór cząsteczkowy

C36 H42 N2 O9

Masa cząsteczkowa

646.727

Dokładna masa

646.289

SMILES

Cc1c(c2ccc(O)cc2)n(Cc3ccc(OCCN4CCCCCC4)cc3)c5ccc(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)cc15

InChI

InChI=1S/C36H42N2O9/c1-22-28-20-27(46-36-33(42)31(40)32(41)34(47-36)35(43)44)14-15-29(28)38(30(22)24-8-10-25(39)11-9-24)21-23-6-12-26(13-7-23)45-19-18-37-16-4-2-3-5-17-37/h6-15,20,31-34,36,39-42H,2-5,16-19,21H2,1H3,(H,43,44)/t31-,32-,33+,34-,36+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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