CHEBI:31228 - apomorphine hydrochloride

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ChEBI Name apomorphine hydrochloride
ChEBI ID CHEBI:31228
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae (C17H17NO2)2.2HCl.H2O
C34H38Cl2N2O5
Net Charge 0
Average Mass 625.58140
Monoisotopic Mass 624.21578
InChI InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1
InChIKey CXWQXGNFZLHLHQ-DPFCLETOSA-N
SMILES [H+].[H+].O.[Cl-].[Cl-].[H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23.[H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23
ChEBI Ontology
Outgoing apomorphine hydrochloride (CHEBI:31228) has part apomorphine (CHEBI:48538)
apomorphine hydrochloride (CHEBI:31228) is a hydrate (CHEBI:35505)
apomorphine hydrochloride (CHEBI:31228) is a hydrochloride (CHEBI:36807)
IUPAC Name
bis(6aβ-aporphine-10,11-diol) dihydrochloride hydrate
Synonyms Sources
(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid ChemIDplus
6aβ-Aporphine-10,11-diol hydrochloride hemihydrate ChemIDplus
Apmorphine hydrochloride hemihydrate ChemIDplus
Apomorphin hydrochlorid wasser (2/1) ChemIDplus
Apomorphine HCl ChemIDplus
Manual Xrefs Databases
D02004 KEGG DRUG
DB00714 DrugBank
View more database links
Registry Number Type Source
41372-20-7 CAS Registry Number ChemIDplus
Last Modified
11 November 2008