Hyoscyamine Impurity 9 structure

Hyoscyamine Impurity 9

[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate

Also Known As: Hyoscyamine Impurity 9|(6S,2 R)-Anisodamine|J2.087.146F|(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-3-hydroxy-2-phenylpropanoate|(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (R)-3-hydroxy-2-phenylpropanoate|(alphaR)-alpha-(Hydroxymethyl)benzeneacetic acid (1R,5R)-6beta-hydroxy-8-methyl-8-azabicyclo[3.2.1]octa-3alpha-yl ester

CAS: 76831-52-2
Molecular Formula C17H23NO4
Molecular Weight 305.16272 g/mol
LogP 0.9017
Topological Polar Surface Area 70.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 305.16272
Monoisotopic Mass 305.16272
Heavy Atoms 22
Complexity 520.65

Chemical Identifiers

CAS Number 76831-52-2
SMILES CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@@H](CO)C3=CC=CC=C3

Product Overview

Hyoscyamine Impurity 9 (CAS 76831-52-2), with molecular formula C17H23NO4 and molecular weight 305.16272 g/mol. IUPAC: [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate.

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