Amitifadine hydrochlorideProduct ingredient for Amitifadine
- Name
- Amitifadine hydrochloride
- Drug Entry
- Amitifadine
- Accession Number
- DBSALT002709
- Structure
Structure for Amitifadine hydrochloride (DBSALT002709)
- Synonyms
- Amitifadine HCl
- UNII
- R01R720TVG
- CAS Number
- 410074-74-7
- Weight
- Average: 264.57
Monoisotopic: 263.0035325 - Chemical Formula
- C11H12Cl3N
- InChI Key
- KAGBHVBIOJBGBD-NINOIYOQSA-N
- InChI
- InChI=1S/C11H11Cl2N.ClH/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;/h1-3,8,14H,4-6H2;1H/t8-,11+;/m1./s1
- IUPAC Name
- (1R,5S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane hydrochloride
- SMILES
- Cl.[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1
- External Links
- ChemSpider
- 9855270
- ChEMBL
- CHEMBL1818442
- Predicted Properties
Property Value Source Water Solubility 0.0162 mg/mL ALOGPS logP 2.8 ALOGPS logP 2.75 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 10.48 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 58.88 m3·mol-1 Chemaxon Polarizability 22.85 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon