loading...| Preferred Name |
apomorphine hydrochloride |
|
| Synonyms |
bis(6abeta-aporphine-10,11-diol) dihydrochloride hydrate 6abeta-Aporphine-10,11-diol hydrochloride hemihydrate Apomorphine HCl Apmorphine hydrochloride hemihydrate Apomorphin hydrochlorid wasser (2/1) (6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31228 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB00714 "DrugBank" NCIt:C47400 ChemIDplus:41372-20-7 "CAS Registry Number" KEGG DRUG:D02004 "KEGG DRUG" SNOMEDCT:74950007 KEGG:D02004 DrugBank:DB00714 CAS:41372-20-7 |
|
| formula |
(C17H17NO2)2.2HCl.H2O C34H38Cl2N2O5 |
|
| has_exact_synonym |
bis(6abeta-aporphine-10,11-diol) dihydrochloride hydrate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
6abeta-Aporphine-10,11-diol hydrochloride hemihydrate Apomorphine HCl Apmorphine hydrochloride hemihydrate Apomorphin hydrochlorid wasser (2/1) (6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol hydrochlorid |
|
| has_role | ||
| id |
CHEBI:31228 |
|
| in_subset | ||
| 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 |
|
| label |
apomorphine hydrochloride |
|
| mass |
625.58140 |
|
| monoisotopicmass |
624.21578 |
|
| notation |
CHEBI:31228 |
|
| prefLabel |
apomorphine hydrochloride |
|
| 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 |
|
| subClassOf |