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butropium bromide

Properties

Image

Occurences in reactions

MNX_ID

MNXM45022

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₈H₃₈BrNO₄

charge

mass

531.19842

reference

chebi:31327

InChIKey

JABDOYKGZCPHPX-XSCYYCMVSA-M

InChI

InChI=1S/C28H38NO4.BrH/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22;/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3;1H/q+1;/p-1/t23-,24+,26+,27-,29?;/m1./s1

SMILES

CCCCOc1ccc(C[N+]2(C)[C@H]3CC[C@@H]2C[C@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1.[Br-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31327 chebi:31327	butropium bromide (1R,3r,5S)-8-[(4-butoxyphenyl)methyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide (3-endo)-8-(4-butoxybenzyl)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane bromide Coliopan bromure de butropium bromuro de butropio butropii bromidum butropium Br p-butoxybenzyl hyoscyaminium bromide
kegg.drug:D01491 keggD:D01491	Butropium bromide (JP18/INN) Coliopan (TN)
keggD:M_D01491	secondary/obsolete/fantasy identifier