CHEBI:135516 - cimetropium

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ChEBI Name cimetropium
ChEBI ID CHEBI:135516
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28NO4
Net Charge +1
Average Mass 358.452
Monoisotopic Mass 358.20128
InChI InChI=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
InChIKey QVVOZYKELHAIPX-WVHCHWADSA-N
SMILES C[N+]1(CC2CC2)[C@H]3C[C@@H](C[C@@H]1[C@H]4O[C@@H]34)OC(=O)[C@H](CO)C5=CC=CC=C5
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cimetropium (CHEBI:135516) is a 3-hydroxy carboxylic acid (CHEBI:61355)
Synonyms Sources
cimetropium bromide DrugCentral
cyclopropylmethylscopolamine bromide DrugCentral
Manual Xref Database
646 DrugCentral
View more database links
Registry Number Type Source
51598-60-8 CAS Registry Number DrugCentral
Last Modified
23 February 2017