Bazedoxifene bis-β-D-glucuronide

CAS

328933-67-1

Catalog Number

ACM328933671

Category

Other Products

Molecular Weight

822.85

Molecular Formula

C₄₂H₅₀N₂O₁₅

MSDS COA Spec Sheet

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Specification

Synonyms

4-[5-(β-D-Glucopyranuronosyloxy)-1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-3-methyl-1H-indol-2-yl]phenyl β-D-Glucopyranosiduronic Acid;

IUPAC Name

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

Canonical SMILES

CC1=C(N(C2=C1C=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OC7C(C(C(C(O7)C(=O)O)O)O)O

InChI Key

FMPLVZPGUJCCCC-FOIJVJNNSA-N

Exact Mass

822.32100

H-Bond Acceptor

H-Bond Donor