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CHEBI:31228 - apomorphine hydrochloride

ChEBI IDCHEBI:31228
ChEBI Nameapomorphine hydrochloride
Stars
Last Modified11 November 2008
DownloadsMolfile
Formula2H.2C17H17NO2.2Cl.H2O
Net Charge0
Average Mass625.593
Monoisotopic Mass624.21578
SMILESO.[Cl-].[Cl-].[H+].[H+].[H][C@@]12Cc3ccc(O)c(O)c3-c3cccc(c31)CCN2C.[H][C@@]12Cc3ccc(O)c(O)c3-c3cccc(c31)CCN2C
InChIInChI=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
InChIKeyCXWQXGNFZLHLHQ-DPFCLETOSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
(6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochloridChemIDplus
6aβ-Aporphine-10,11-diol hydrochloride hemihydrateChemIDplus
Apmorphine hydrochloride hemihydrateChemIDplus
Apomorphin hydrochlorid wasser (2/1)ChemIDplus
Apomorphine HClChemIDplus
Manual XrefsDatabases
D02004KEGG DRUG
DB00714DrugBank
Registry NumbersSources
CAS:41372-20-7ChemIDplus