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CHEBI:6845 - Methscopolamine bromide

ChEBI IDCHEBI:6845
ChEBI NameMethscopolamine bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C18H24NO4
Net Charge0
Average Mass398.297
Monoisotopic Mass397.08887
SMILES[Br-].[H][C@]12CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@]([H])(C3OC31)[N+]2(C)C
InChIInChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14+,15+,16?,17?;/m1./s1
InChIKeyCXYRUNPLKGGUJF-JIRGPDKYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methscopolamine bromide (CHEBI:6845) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Synonyms  Source
Methscopolamine bromideKEGG COMPOUND
Pamine (TN)KEGG COMPOUND
Manual XrefsDatabases
D00715KEGG DRUG
Registry NumbersSources
CAS:155-41-9KEGG COMPOUND