Carteolol hydrochlorideProduct ingredient for Carteolol

Name
Carteolol hydrochloride
Drug Entry
Carteolol

A beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent.

Accession Number
DBSALT000319
Structure
Synonyms
Carteolol HCl
UNII
4797W6I0T4
CAS Number
51781-21-6
Weight
Average: 328.834
Monoisotopic: 328.155370383
Chemical Formula
C16H25ClN2O3
InChI Key
FYBXRCFPOTXTJF-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H
IUPAC Name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2-ol hydrochloride
SMILES
Cl.CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(O)=N2
PubChem Compound
40127
ChemSpider
36671
ChEBI
3438
ChEMBL
CHEMBL1201002
Wikipedia
Carteolol
Predicted Properties
PropertyValueSource
Water Solubility0.33 mg/mLALOGPS
logP1.55ALOGPS
logP-0.33Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)5.18Chemaxon
pKa (Strongest Basic)9.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area74.08 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity83.9 m3·mol-1Chemaxon
Polarizability32.58 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon