Mibefradil DihydrochlorideProduct ingredient for Mibefradil
- Name
- Mibefradil Dihydrochloride
- Drug Entry
- Mibefradil
Mibefradil was withdrawn from the market in 1998 because of potentially harmful interactions with other drugs.
- Accession Number
- DBSALT002896
- Structure
Structure for Mibefradil Dihydrochloride (DBSALT002896)
- Synonyms
- Not Available
- UNII
- 842TUP3PQ8
- CAS Number
- 116666-63-8
- Weight
- Average: 568.56
Monoisotopic: 567.2430757 - Chemical Formula
- C29H40Cl2FN3O3
- InChI Key
- MTJLQTFHJIHXIX-GDUXWEAWSA-N
- InChI
- InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1
- IUPAC Name
- (1S,2S)-2-(2-{[3-(1H-1,3-benzodiazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate dihydrochloride
- SMILES
- Cl.Cl.COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
- External Links
- ChemSpider
- 54672
- ChEMBL
- CHEMBL1534525
- Predicted Properties
Property Value Source Water Solubility 0.00104 mg/mL ALOGPS logP 5.34 ALOGPS logP 5.16 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 12.54 Chemaxon pKa (Strongest Basic) 9.82 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 67.45 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 139.73 m3·mol-1 Chemaxon Polarizability 55.41 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon