Metipranolol hydrochlorideProduct ingredient for Metipranolol

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Name
Metipranolol hydrochloride
Drug Entry
Metipranolol

A beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent.

See full entry for Metipranolol
Accession Number
DBSALT000806
Structure
Similar Structures
Synonyms
Metipranolol HCl
UNII
FBW237ALKD
CAS Number
36592-77-5
Weight
Average: 345.862
Monoisotopic: 345.170686096
Chemical Formula
C17H28ClNO4
InChI Key
BLWNYSZZZWQCKO-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H
IUPAC Name
4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate hydrochloride
SMILES
Cl.CC(C)NCC(O)COC1=CC(C)=C(OC(C)=O)C(C)=C1C
KEGG Compound
C13591
PubChem Compound
656682
ChemSpider
571022
ChEBI
34845
ChEMBL
CHEMBL1200947
Wikipedia
Metipranolol
Predicted Properties
PropertyValueSource
Water Solubility0.173 mg/mLALOGPS
logP2.13ALOGPS
logP2.74Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)14.09Chemaxon
pKa (Strongest Basic)9.67Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area67.79 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity86.63 m3·mol-1Chemaxon
Polarizability35.41 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon