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CHEBI:135516 - cimetropium

ChEBI IDCHEBI:135516
ChEBI Namecimetropium
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H28NO4
Net Charge+1
Average Mass358.458
Monoisotopic Mass358.20128
SMILESC[N+]1(CC2CC2)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChIInChI=1S/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1
InChIKeyQVVOZYKELHAIPX-WVHCHWADSA-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)
cimetropium (CHEBI:135516) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Synonyms  Source
cimetropium bromideDrugCentral
cyclopropylmethylscopolamine bromideDrugCentral
Manual XrefsDatabases
646DrugCentral
Registry NumbersSources
CAS:51598-60-8DrugCentral