Cloranolol hydrochlorideProduct ingredient for Cloranolol
- Name
- Cloranolol hydrochloride
- Drug Entry
- Cloranolol
- Accession Number
- DBSALT002704
- Structure
Structure for Cloranolol hydrochloride (DBSALT002704)
- Synonyms
- Chlorpropanol hydrochloride / Cloranolol HCl
- External IDs
- GYKI-41099
- UNII
- 79SQ2WFQ23
- CAS Number
- 54247-25-5
- Weight
- Average: 328.66
Monoisotopic: 327.055962 - Chemical Formula
- C13H20Cl3NO2
- InChI Key
- GSMITOPOWVFGOM-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H19Cl2NO2.ClH/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15;/h4-6,10,16-17H,7-8H2,1-3H3;1H
- IUPAC Name
- 1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol hydrochloride
- SMILES
- Cl.CC(C)(C)NCC(O)COC1=C(Cl)C=CC(Cl)=C1
- External Links
- ChemSpider
- 142879
- Predicted Properties
Property Value Source Water Solubility 0.0879 mg/mL ALOGPS logP 3.47 ALOGPS logP 3.08 Chemaxon logS -3.5 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 74.62 m3·mol-1 Chemaxon Polarizability 30.29 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon