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Butropium Bromide
[CAS# 29025-14-7]

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CAS#: 29025-14-7
Product: Butropium Bromide
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Identification
Name Butropium Bromide
Synonyms [8-[(4-Butoxyphenyl)Methyl]-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] (2S)-3-Hydroxy-2-Phenyl-Propanoate Bromide; (2S)-3-Hydroxy-2-Phenylpropanoic Acid [8-[(4-Butoxyphenyl)Methyl]-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide; (2S)-3-Hydroxy-2-Phenyl-Propionic Acid [8-(4-Butoxybenzyl)-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide
Molecular Structure CAS#: 29025-14-7, Butropium Bromide
Molecular Formula C28H38BrNO4
Molecular Weight 532.52
CAS Registry Number 29025-14-7
EINECS 249-375-4
SMILES [C@@H](C(OC2CC1[N+](C(CC1)C2)(CC3=CC=C(OCCCC)C=C3)C)=O)(CO)C4=CC=CC=C4.[Br-]
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
InChIKey JABDOYKGZCPHPX-KRXDYJDBSA-M
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