butropium bromide structure

butropium bromide

[8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide

Also Known As: butropium bromide|Coliopan|Butropii bromidum|Bromuro de butropio|Bromure de butropium|Butoxybenzyl hyoscyamine|Butropium bromide [INN:JAN]|AC1L21RT|Butoxybenzyl hyoscyamine bromide|Butropii bromidum [INN-Latin]|Bromure de butropium [INN-French]|Bromuro de butropio [INN-Spanish]|p-Butoxybenzyl hyoscyaminium bromide|EINECS 249-375-4|N-(Butoxybenzyl)hyoscyamine Bromide|(p-Butoxybenzyl)hyoscyaminium Bromide|AN-5585|l-(1-(p-n-Butoxybenzyl)hyoscyaminium) bromide|BHB|8-(p-Butoxybenzyl)-3-alpha-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide (-)-tropate (ester)|1-alpha-H,5-alpha-H-Tropanium, 8-(p-butoxybenzyl)-3-alpha-hydroxy-, bromide, (-)-tropate|1.alpha.H,5.alpha.H-Tropanium, 8-(p-butoxybenzyl)-3.alpha.-hydroxy-, bromide, (-)-tropate|8-(p-butoxybenzyl)-3-alpha-hydroxy-1-alpha H,5-alpha H-tropanium bromide (-)-tropate|8-(p-Butoxybenzyl)-3alpha-hydroxy-1alphaH,5alphaH-tropanium bromide (-)-tropate|[3(S)-endo]-8-[(4-Butoxyphenyl)methyl]-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane Bromide|[8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate bromide|[8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide|8-Azoniabicyclo(2.2.1)octane, 8-((4-butoxyphenyl)methyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, (3(S)-endo)-|8-Azoniabicyclo[3.2.1]octane, 8-[(4-butoxyphenyl)methyl]-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, [3(S)-endo]-

CAS: 29025-14-7
Molecular Formula C28H38BrNO4
Molecular Weight 531.1984 g/mol
LogP 1.83
Topological Polar Surface Area 55.76 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 10
Exact Mass 531.1984
Heavy Atoms 34
Complexity 890.4

Chemical Identifiers

CAS Number 29025-14-7
SMILES CCCCOC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]

Product Overview

butropium bromide (CAS 29025-14-7), with molecular formula C28H38BrNO4 and molecular weight 531.1984 g/mol. IUPAC: [8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide.

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