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CHEBI:553542 - ipratropium chloride

ChEBI IDCHEBI:553542
ChEBI Nameipratropium chloride
Stars
DefinitionThe chloride salt of ipratropium.
Secondary ChEBI IDCHEBI:569423
Last Modified13 August 2010
DownloadsMolfile
FormulaC20H30NO3.Cl
Net Charge0
Average Mass367.917
Monoisotopic Mass367.19142
SMILES[Cl-].[H][C@]12CC[C@]([H])(C[C@H](OC(=O)C(CO)c3ccccc3)C1)[N@+]2(C)C(C)C
InChIInChI=1S/C20H30NO3.ClH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21+;
InChIKeyMQIPRYDNKGFOGV-VVQPYUEFSA-M
ChEBI Ontology
Outgoing Relation(s)
ipratropium chloride (CHEBI:553542) has part ipratropium (CHEBI:5956)
ipratropium chloride (CHEBI:553542) is a chloride salt (CHEBI:23114)
ipratropium chloride (CHEBI:553542) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azoniabicyclo[3.2.1]octane chloride