apomorphine   

GtoPdb Ligand ID: 33

Synonyms: Apokyn® | Ixense® | Kynmobi® (sublingual film) | Uprima®
apomorphine is an approved drug (EMA (2001), FDA (2004))
Compound class: Synthetic organic
Comment: Apomorphine hydrochloride is a potent dopamine-receptor agonist.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 43.7
Molecular weight 267.13
XLogP 2.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O
Isomeric SMILES CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O
InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
InChI Key VMWNQDUVQKEIOC-CYBMUJFWSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2001), FDA (2004))
IUPAC Name
(9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol
Synonyms
Apokyn® | Ixense® | Kynmobi® (sublingual film) | Uprima®
Database Links
BindingDB Ligand 50001955
CAS Registry No. 58-00-4
ChEBI CHEBI:48538
ChEMBL Ligand CHEMBL53
DrugBank Ligand DB00714
DrugCentral Ligand 228
GtoPdb PubChem SID 135649950
PubChem CID 6005
Search Google for chemical match using the InChIKey VMWNQDUVQKEIOC-CYBMUJFWSA-N
Search Google for chemicals with the same backbone VMWNQDUVQKEIOC
Search UniChem for chemical match using the InChIKey VMWNQDUVQKEIOC-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone VMWNQDUVQKEIOC
Wikipedia Apomorphine