Tertatolol hydrochlorideProduct ingredient forTertatolol

Name
Tertatolol hydrochloride
Drug Entry
Tertatolol

Tertatolol is a beta blocker.

Accession Number
DBSALT002705
Structure
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
ChemSpider
142084
Predicted Properties
Property Value Source
Water Solubility 0.0221 mg/mL ALOGPS
logP 2.92 ALOGPS
logP 2.88 Chemaxon
logS -4.1 ALOGPS
pKa (Strongest Acidic) 14.09 Chemaxon
pKa (Strongest Basic) 9.76 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 3 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 41.49 Å2 Chemaxon
Rotatable Bond Count 6 Chemaxon
Refractivity 85.73 m3·mol-1 Chemaxon
Polarizability 34.15 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon