Levobunolol

W 6421A · AK-Beta · Betegan · l-Bunolol · Liquifilm · LEVOBUNOLOL · Levobunololum · LEVOBUNOLOL USP/EP/BP

Identifikatoren & physikalische Daten

CAS No.	47141-42-4
Summenformel	C17H25NO3
Durchschnittliche Molmasse	291,4 g/mol
Monoisotopische Masse	291,18344366 g/mol
SMILES	CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
InChIKey	IXHBTMCLRNMKHZ-LBPRGKRZSA-N
PubChem CID	39468
ChEMBL	CHEMBL1201237
ChEBI	CHEBI:6438
DTXSID	DTXSID1043833

XLogP	2,4
Polarare Oberfläche (TPSA)	58,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	6
Schwere Atome	21
Formalladung	0
Komplexität	350
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)	2.1
Löslichkeit	2.51e-01 g/L
Human Drugs	Breast FeedingLactationMilk, HumanAntihypertensive AgentsAdrenergic Beta-AntagonistsAntiglaucoma AgentsAntiarrhythmicsPharmaceuticals
Schmelzpunkt	209-211 °C209 - 211 °C209-211°C
Physical Description	Solid
Lagerbedingungen	-20°C Freezer, Under Inert Atmosphere
Hauptanwendungen	pharmaceutical (small molecule)
InChI	1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKey	IXHBTMCLRNMKHZ-LBPRGKRZSA-N
SMILES	N(C[C@H](O)COc1c2c(ccc1)C(=O)CCC2)C(C)(C)C
CAS Datenbank	47141-42-4(CAS DataBase Reference)

Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
Wassergefährdungsklasse (WGK)	WGK 3
Toxizität	LD50 in male, female rats, mice (mg/kg): 700, 800, 1530, 1220 orally25, 28, 78, 84 i.v.LD50 in male, female hamsters, dogs (mg/kg): 435, 500, 100, 100 orally (Kaplan, 1980)
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

As a non-selective adrenoceptor antagonist, Levobunolol is used as an anticonvulsant.