Safingol HydrochlorideProduct ingredient for Safingol
- Name
- Safingol Hydrochloride
- Drug Entry
- Safingol
Safingol has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.
- Accession Number
- DBSALT002106
- Structure
Structure for Safingol Hydrochloride (DBSALT002106)
- Synonyms
- Not Available
- UNII
- 30MA50WJ4N
- CAS Number
- 139755-79-6
- Weight
- Average: 337.97
Monoisotopic: 337.2747572 - Chemical Formula
- C18H40ClNO2
- InChI Key
- BEHHCQFBLOARIX-APTPAJQOSA-N
- InChI
- InChI=1S/C18H39NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17-18,20-21H,2-16,19H2,1H3;1H/t17-,18-;/m0./s1
- IUPAC Name
- (2S,3S)-2-aminooctadecane-1,3-diol hydrochloride
- SMILES
- Cl.CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
- External Links
- ChemSpider
- 2319839
- ChEMBL
- CHEMBL2107808
- Predicted Properties
Property Value Source Water Solubility 0.00453 mg/mL ALOGPS logP 5.2 ALOGPS logP 4.77 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 14.42 Chemaxon pKa (Strongest Basic) 9.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 66.48 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 90.93 m3·mol-1 Chemaxon Polarizability 40.47 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon