Apomorphine Hydrochloride Hemihydrate
Grundinformationen
- CAS
58117-94-5- Standard-SMILES
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl.O- InChIKey
DQQCJDBYNZMPOA-FFXKMJQXSA-N- Summenformel
- C17H20ClNO3
- Durchschnittliche Molmasse
- 321,8 g/mol
Überblick
A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. [PubChem]
Namen und Bezeichner
- Bevorzugter Name
- Apomorphine Hydrochloride Hemihydrate
- IUPAC
- (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
- Englischer Name
- 4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (1:1:), (6aR)-
- Summenformel
- C17H20ClNO3
- Molmasse
- 321.8
Namen und Synonyme
Apomorphine hydrochloride hemihydrate41372-20-7Apomorphinium chloride hemihydrateRefChem:107714558117-94-5R-(-)-Apomorphine hydrochloride hemihydrate(?)-Apomorphine (hydrochloride hydrate)MLS000069811SMR0000592355,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol hydrochloride xhydrate(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochlorideSMR000653528
Weitere Namen anzeigen
4H-Dibenzo[de,g]quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, hydrochloride, hydrate (1:1:), (6aR)-
(R)-Apomorphine Hydrochloride HemihydrateOpera_ID_1132MLS001074112MLS002153277MLS002222153orb2283774SCHEMBL5429071SCHEMBL29565637
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 44,7 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 374
Experimentelle und physikochemische Eigenschaften
Solubility
21.8 [ug/mL] (The mean of the results at pH 7.4)
28.4 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Löslichkeit
- 20 mg/ml; · DMF: 20 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 15 mg/ml; Ethanol: 1 mg/ml
- Aggregatzustand
- A crystalline solid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationApmorphine hydrochloride hemihydrate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (95%)
Toxikologische Informationen
Exposure Routes100% following subcutaneous administration
Toxicity Summary
The precise mechanism of action of apomorphine as a treatment for Parkinson's disease is unknown, although it is believed to be due to stimulation of post-synaptic dopamine D2-type receptors within the brain. Apomorphine has been shown to improve motor function in an animal model of Parkinson's disease. In particular, apomorphine attenuates the motor deficits induced by lesions in the ascending nigrostriatal dopaminergic pathway with the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) in primates.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD50: 0.6 mmoles/kg (Intraperitoneal, Mouse) (A308)
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesHepatic
Half Life: 40 minutes (range 30 - 60 minutes)
Verwendung und Herstellung
UsesFor the acute, intermittent treatment of hypomobility, off episodes (end-of-dose wearing off and unpredictable on/off episodes) associated with advanced Parkinson's disease.
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