CHEBI:5956 - ipratropium

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ChEBI Name ipratropium
ChEBI ID CHEBI:5956
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H30NO3
Net Charge +1
Average Mass 332.45714
Monoisotopic Mass 332.223
InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21+
InChIKey OEXHQOGQTVQTAT-JRNQLAHRSA-N
SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ipratropium (CHEBI:5956) is a propanoate ester (CHEBI:36243)
ipratropium (CHEBI:5956) is a quaternary ammonium ion (CHEBI:35267)
ipratropium (CHEBI:5956) is a tropane alkaloid (CHEBI:37332)
Incoming ipratropium bromide (CHEBI:46659) has part ipratropium (CHEBI:5956)
ipratropium chloride (CHEBI:553542) has part ipratropium (CHEBI:5956)
IUPAC Name
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane
Synonym Source
Ipratropium KEGG COMPOUND
Database Link Database
C07052 KEGG COMPOUND
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Registry Numbers Types Sources
10733804 Beilstein Registry Number Beilstein
5881723 Beilstein Registry Number Beilstein
60205-81-4 CAS Registry Number ChemIDplus
Last Modified
22 February 2017