Fluspirilen

imap · R 6218 · Redeptin · mcn-jr-6218 · Fluspirilen · Fluspirilene · Fluspirilene CRS · Fluspirilene (R 6218

Identifikatoren & physikalische Daten

CAS No.	1841-19-6
Summenformel	C29H31F2N3O
Durchschnittliche Molmasse	475,6 g/mol
Monoisotopische Masse	475,24351894 g/mol
SMILES	O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIKey	QOYHHIBFXOOADH-UHFFFAOYSA-N
PubChem CID	3396
ChEMBL	CHEMBL46516
ChEBI	CHEBI:93369
EC No.	217-418-6
DTXSID	DTXSID7045152
Lokaler Name	Fluspirilen

Chemische & physikalische Eigenschaften

XLogP	5,6
Polarare Oberfläche (TPSA)	35,6
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	7
Schwere Atome	35
Formalladung	0
Komplexität	653
Arzneimittel	Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Nervous system -> Antipsychotics
LogP (Verteilungskoeffizient)	5.86
Löslichkeit	1.67e-03 g/LDMSO: soluble
Schmelzpunkt	187.5-190187.5-190°
Physical Description	Solid
Dissociation Constants	8.667.7
Siedepunkt	668.9±55.0 °C(Predicted)
Dichte	1.1634 (estimate)
Lagerbedingungen	room temp
Aggregatzustand	amorphous solid
pKa (Säurekonstante)	15.05±0.20(Predicted)
Farbe	white to yellow
InChIKey	QOYHHIBFXOOADH-UHFFFAOYSA-N
SMILES	Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5
CAS Datenbank	1841-19-6

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Weitere Sicherheitsinformationen	IMAP assessments - 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 3 (100%)
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)fluspirileneDILI PositiveIntramuscularDOI:10.1016/j.drudis.2019.09.022
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	3249
RTECS-Nr.	XX8750000
Toxizität	LD50 i.m. in rats: 146 ±14 mg/kg (Janssen)
Gefahrenklasse	6.1(b)
Verpackungsgruppe	III
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Beschreibung

Fluspirilene is a potent, non-competitive antagonist of agonist-activated L-type calcium channels (IC50 = 0.03 μM). In addition to its use in research as a calcium channel blocker, fluspirilene has potential application as an antipsychotic in schizophrenia.

Verwenden

Fluspirilene has been used as a neuroleptic drug to study its effects on human ether-a-go-go related gene (HERG).