(3S,4R)-3-Hydroxy-2,2-Dimethyl-4-(2-Oxo-1-Pyrrolidinyl)-6-Chromanecarbonitrile

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Properties Simple | Detailed

Formula C16H18N2O3
IUPAC Name (3s,4r)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrile
Molecular Mass 286.326 g·mol−1
Heat of Formation -389.9 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 341.53 Å 3
Surface Area 294.08 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-cromakalim
  • (3s,4r)-3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)2h-1-benzopyran-6-carbonitrile
  • (3s,4r)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile
  • (3s,4r)-3-hydroxy-4-(2-ketopyrrolidin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile
  • 2h-1-benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, (3s,trans)-
  • brl 38227
  • brl-34915
  • brl-38227
  • brl-38266
  • d02385
  • lemakalim
  • levanex
  • levcromakalim
  • levcromakalim (usan)
  • levcromakelim
  • m&b-44809
CAS Number(s)
  • 94535-50-9
InChIKey TVZCRIROJQEVOT-CABCVRRESA-N
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