Tertatolol hydrochlorideProduct ingredient for Tertatolol

Name
Tertatolol hydrochloride
Drug Entry
Tertatolol

Tertatolol is a beta blocker.

Accession Number
DBSALT002705
Structure
Thumb
Synonyms
Tertatolol HCl
External IDs
S 2395 / SE 2395
UNII
9SDH60Z1NO
CAS Number
33580-30-2
Weight
Average: 331.9
Monoisotopic: 331.137278
Chemical Formula
C16H26ClNO2S
InChI Key
LPBCJDNVLKNRAZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H
IUPAC Name
1-(tert-butylamino)-3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)propan-2-ol hydrochloride
SMILES
Cl.CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2
External Links
ChemSpider
142084
Predicted Properties
PropertyValueSource
Water Solubility0.0221 mg/mLALOGPS
logP2.92ALOGPS
logP2.88ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)14.09ChemAxon
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area41.49 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity85.73 m3·mol-1ChemAxon
Polarizability34.15 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon