Tertatolol hydrochlorideProduct ingredient for Tertatolol
- Name
- Tertatolol hydrochloride
- Drug Entry
- Tertatolol
Tertatolol is a beta blocker.
- Accession Number
- DBSALT002705
- Structure
Structure for Tertatolol hydrochloride (DBSALT002705)
- 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
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