Levobunolol hydrochlorideProduct ingredient for Levobunolol

Name
Levobunolol hydrochloride
Drug Entry
Levobunolol

A nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma.

Accession Number
DBSALT000251
Structure
Synonyms
Levobunolol HCl
UNII
O90S49LDHH
CAS Number
27912-14-7
Weight
Average: 327.846
Monoisotopic: 327.16012141
Chemical Formula
C17H26ClNO3
InChI Key
DNTDOBSIBZKFCP-YDALLXLXSA-N
InChI
InChI=1S/C17H25NO3.ClH/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;1H/t12-;/m0./s1
IUPAC Name
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one hydrochloride
SMILES
Cl.[H][C@](O)(CNC(C)(C)C)COC1=CC=CC2=C1CCCC2=O
KEGG Compound
C08228
PubChem Compound
441415
ChemSpider
390150
ChEBI
6439
ChEMBL
CHEMBL1201177
Wikipedia
Levobunolol
Predicted Properties
PropertyValueSource
Water Solubility0.251 mg/mLALOGPS
logP2.06ALOGPS
logP2.18Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.75Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area58.56 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity83.28 m3·mol-1Chemaxon
Polarizability33.08 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon