Apomorphine hydrochlorideProduct ingredient for Apomorphine
- Name
- Apomorphine hydrochloride
- Drug Entry
- Apomorphine
Apomorphine is a non-ergoline dopamine D2 agonist indicated to treat hypomobility associated with Parkinson's. It was first synthesized in 1845 and first used in Parkinson's disease in 1884.10 Apomorphine has also been investigated as an emetic, a sedative, a treatment for alcoholism, and a treatment of other movement disorders.9,10
Apomorphine was granted FDA approval on 20 April 2004.11
- Accession Number
- DBSALT000818
- Structure
Structure for Apomorphine hydrochloride (DBSALT000818)
- Synonyms
- 6aβ-Aporphine-10,11-diol hydrochloride hemihydrate / Apomorphin hydrochlorid wasser (2/1) / Apomorphine HCl / Apomorphine hydrochloride hemihydrate
- External IDs
- KW-6500
- UNII
- F39049Y068
- CAS Number
- 41372-20-7
- Weight
- Average: 625.59
Monoisotopic: 624.2157777 - Chemical Formula
- C34H38Cl2N2O5
- InChI Key
- CXWQXGNFZLHLHQ-DPFCLETOSA-N
- 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
- IUPAC Name
- dihydrogen bis((9R)-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol) hydrate dichloride
- SMILES
- [H+].[H+].O.[Cl-].[Cl-].[H][C@@]12CC3=CC=C(O)C(O)=C3C3=C1C(CCN2C)=CC=C3.[H][C@@]12CC3=CC=C(O)C(O)=C3C3=C1C(CCN2C)=CC=C3
- External Links
- KEGG Drug
- D02004
- PubChem Compound
- 9410
- ChemSpider
- 97017
- ChEBI
- 31228
- ChEMBL
- CHEMBL3187985
- Wikipedia
- Apomorphine
- Predicted Properties
Property Value Source Water Solubility 0.51 mg/mL ALOGPS logP 2.51 ALOGPS logP 2.94 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 9.25 Chemaxon pKa (Strongest Basic) 7.53 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 43.7 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 79.99 m3·mol-1 Chemaxon Polarizability 29.38 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon