Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:31228 - apomorphine hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
apomorphine hydrochloride
ChEBI ID
CHEBI:31228
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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
(6a
R
)-5,6,6a,7-Tetrahydro-6-methyl-4
H
-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