Mibefradil

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Properties Simple | Detailed

Formula C26H21FN3O3
IUPAC Name [(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 Mass 442.462 g·mol−1
Heat of Formation -552.4 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 618.55 Å 3
Surface Area 507.56 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-2-(2-{[3-(1h-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(1-methylethyl)-1,2,3,4-tetrahydronaphthalen-2-yl (methyloxy)acetate
  • (1s-cis)-2-(2-((3-(1h-benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl methoxyacetate
  • 2-(2-((3-(1h-benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl methoxyacetate (1s-cis)-
  • 2-methoxyacetic acid [(1s,2s)-2-[2-[3-(1h-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] ester
  • 2-methoxyacetic acid [(1s,2s)-2-[2-[3-(1h-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-isopropyl-2-tetralinyl] ester
  • [(1s,2s)-2-[2-[3-(1h-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-isopropyl-tetralin-2-yl] 2-methoxyacetate
  • [(1s,2s)-2-[2-[3-(1h-benzimidazol-2-yl)propyl-methyl-amino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1h-naphthalen-2-yl] 2-methoxyethanoate
  • acetic acid, methoxy-, 2-(2-((3-(1h-benzimidazol-2-yl)propyl)methylamino)ethyl)-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl ester, (1s-cis)-
CAS Number(s)
  • 116644-53-2
InChIKey HBNPJJILLOYFJU-VMPREFPWSA-N
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