Mibefradil
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate
| Molecular Formula | C29H38FN3O3 |
|---|---|
| Molecular Weight | 495.6 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 67.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.28973 |
| Heavy Atoms | 36 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 116644-53-2 |
|---|---|
| SMILES | CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F |
| InChIKey | HBNPJJILLOYFJU-VMPREFPWSA-N |
📖 Product Overview
Mibefradil (CAS: 116644-53-2) is a chemical compound with molecular formula C29H38FN3O3 and molecular weight 495.6 g/mol. Its IUPAC systematic name is [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate.
HBNPJJILLOYFJU-VMPREFPWSA-N.
SMILES: CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.
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