Benidipine

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Properties Simple | Detailed

Formula C28H31N3O6
IUPAC Name (4r)-5-[[(1r,3r)-1-[(e)-2-ethylbut-2-enyl]-3-piperidyl]oxycarbonyl]-4-[(e)-1-ethyl-3-nitro-prop-1-enyl]-2,6-dimethyl-4,5-dihydro-3h-pyridin-1-ium-3-carboxylate
Molecular Mass 505.562 g·mol−1
Heat of Formation -532.1 ± 16.7 kJ·mol−1
Dipole Moment 13.07 ± 1.08 D
Volume 600.06 Å 3
Surface Area 466.3 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o3-[(3r)-1-(benzyl)-3-piperidyl] o5-methyl ester
  • (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid o5-methyl o3-[(3r)-1-(phenylmethyl)-3-piperidinyl] ester
  • benidipene
  • methyl (3r)-1-(phenylmethyl)piperidin-3-yl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • o5-methyl o3-[(3r)-1-(phenylmethyl)-3-piperidyl] (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • o5-methyl o3-[(3r)-1-(phenylmethyl)piperidin-3-yl] (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
InChIKey QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
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