Lisurid

Lisurid · LISURIDE · Lysuride · CABERQOLINE · Mesorgydine · Prestwick_525 · S-(-)-LISURIDE · Lisuride (S)(-)

Identifikatoren & physikalische Daten

CAS No.	140387-89-9
Summenformel	C20H26N4O
Durchschnittliche Molmasse	338,4 g/mol
SMILES	CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIKey	SORAZNWVQFKAFD-IBIFCFAISA-N
PubChem CID	28864
ChEMBL	CHEMBL157138
ChEBI	CHEBI:51164
EC No.	241-925-1
DTXSID	DTXSID3023217
Lokaler Name	Lisurid

XLogP	2,7
Polarare Oberfläche (TPSA)	51,4
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	25
Formalladung	0
Komplexität	544
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)	2.2
Löslichkeit	1.40e-01 g/L
Human Drugs	Breast FeedingLactationAntiparkinson AgentsDopamine AgonistsSerotonin Receptor Agonists
Physical Description	Solid
Schmelzpunkt	186°
Siedepunkt	603.4±55.0 °C(Predicted)
Dichte	1.23±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	13.06±0.20(Predicted)
Aggregatzustand	Solid
Farbe	Off-white to light yellow
CAS Datenbank	18016-80-3

GHS-Einstufung	DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, 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.
Hazard Classes and Categories	Acute Tox. 2 (100%)
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
Alarmwort	Achtung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H300