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CHEBI:135418 - oxitropium

ChEBI IDCHEBI:135418
ChEBI Nameoxitropium
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC19H26NO4
Net Charge+1
Average Mass332.420
Monoisotopic Mass332.18563
SMILESCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChIInChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13-,14-,15-,16+,17-,18+,20?/m1/s1
InChIKeyNVOYVOBDTVTBDX-PMEUIYRNSA-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)
oxitropium (CHEBI:135418) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Synonyms  Source
oxytropium bromideDrugCentral
oxitropium bromideDrugCentral
oxitropium iodideDrugCentral
Manual XrefsDatabases
2022DrugCentral
Registry NumbersSources
CAS:99571-64-9DrugCentral