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CHEBI:2780 - Apoatropine

ChEBI IDCHEBI:2780
ChEBI NameApoatropine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H21NO2
Net Charge0
Average Mass271.360
Monoisotopic Mass271.15723
SMILESC=C(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3
InChIKeyWPUIZWXOSDVQJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Apoatropine (CHEBI:2780) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
ApoatropineKEGG COMPOUND
Manual XrefsDatabases
C00002275KNApSAcK
C10843KEGG COMPOUND
Registry NumbersSources
CAS:500-55-0KEGG COMPOUND