Blonanserin
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Grundinformationen
- CAS
1346599-86-7- Standard-SMILES
CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1- InChIKey
XVGOZDAJGBALKS-UHFFFAOYSA-N- Summenformel
- C23H30FN3
- Durchschnittliche Molmasse
- 367,5 g/mol
Überblick
Blonanserin is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Blonanserin
- IUPAC
- 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
- Englischer Name
- Blonanserin-d5
- Summenformel
- C23H30FN3
- Molmasse
- 367.5028032
Namen und Synonyme
Blonanserin132810-10-7AD-54232-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridineBlonanserinaBlonanserineDTXSID7048790AQ316B4F8CDSP-54232-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridineCYCLOOCTA[B]PYRIDINE, 2-(4-ETHYL-1-PIPERAZINYL)-4-(4-FLUOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-
Weitere Namen anzeigen
Lonasen-d5AD 5423-d5Blonanserin-d5D5-Blonanserin[2H5]-Blonanserin2-(4-[Ethyl-d5)-1-piperazinyl]-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine
DTXCID3028716Cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-2-(4-ETHYLPIPERAZIN-1-YL)-4-(4-FLUOROPHENYL)-5,6,7,8,9,10-HEXAHYDROCYCLOOCTA(B)PYRIDINEAD5423blonanserinumRefChem:569669685-975-6Lonasen
Datenbank-Bezeichner
- CAS
1346599-86-7- ChEMBL
CHEMBL178803- ChEBI
CHEBI:31296- UNII
- AQ316B4F8C
- EC Number
- 685-975-6
- Nikkaji
- J387.544J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 19,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 443
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Nervous system -> Antipsychotics
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-123°C
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Beige
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemie und Industrie
Pharmakologische Informationen
Protein BindingBlonanserin is over 99.7% bound to plasma proteins . Serum albumin is the primary binder.
PharmacodynamicsBlonanserin antagonizes dopamine and serotonin receptors to reduce symptoms of schizophrenia.
Mechanism of Action
Blonanserin binds to and inhibits dopamine receptors D2 and D3 as well as the serotonin receptor 5-HT2A with high affinity. Blonanserin has low affinity for other dopamine and serotonin receptors as well as muscarinic, adrenergic, and histamine receptors. This reduces dopaminergic and serotonergic neurotransmission which is thought to produce a reduction in positive and negative symptoms of schizophrenia respectively.
Biological Half-LifeBlonanserin has a half life of elimination of 10.7-16.2 h.
Metabolism/Metabolites
Blonanserin is mainly metabolized by CYP3A4. It undergoes hydoxylation of the cyclooctane ring as well as N-oxidation and N-deethylation of the piperazine ring. The N-deethylated and hydroxylated metabolites are active but to a lesser degree than the parent drug.
Absorption, Distribution and Excretion
Blonanserin has a Tmax of 1.5 h and a bioavailablity of 55%. Tmax has been observed to be prolonged and relative bioavailability increased when administered with food.
57% of blonanserin is excreted in the urine and 30% in the feces. Only 5% of the drug in the feces is the parent drug with no parent drug excreted through the urine.
Blonanserin has a Vc of 9500 L and a Vt of 8560 L for a total Vd of 18060 L.
Blonanserin has a clearance of 1230 L/h.
Anwendungen
VerwendenLabelled Blonanserin (B595850).
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