Butropium Bromide
[CAS# 29025-14-7]

Identification

• Name: Butropium Bromide
• Synonyms: (2S)-3-Hydroxy-2-Phenyl-Propionic Acid [8-(4-Butoxybenzyl)-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide; [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
• 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