Cinalukast

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Formula C23H28N2O3S
IUPAC Name 4-[3-[(e)-2-(4-cyclobutylthiazol-2-yl)vinyl]anilino]-2,2-diethyl-4-oxo-butanoic acid
Molecular Mass 412.545 g·mol−1
Heat of Formation -368.1 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 508.24 Å 3
Surface Area 447.55 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[[3-(2-(4-cyclobutyl-2-thiazolyl)ethenyl)phenyl]amino]-2,2-diethyl-4-oxobutanoic acid
  • 3'-((e)-2-(4-cyclobutyl-2-thiazolyl)vinyl)-2,2-diethylsuccinanilic acid
  • 4-[[3-[(e)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxo-butanoic acid
  • 4-[[3-[(e)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid
  • 4-[[3-[(e)-2-(4-cyclobutyl-2-thiazolyl)vinyl]phenyl]amino]-2,2-diethyl-4-oxobutanoic acid
  • 4-[[3-[(e)-2-(4-cyclobutylthiazol-2-yl)vinyl]phenyl]amino]-2,2-diethyl-4-keto-butyric acid
  • 4-[[3-[(e)-2-(4-cyclobutylthiazol-2-yl)vinyl]phenyl]amino]-2,2-diethyl-4-oxo-butanoic acid
  • butanoic acid, 4-((3-(2-(4-cyclobutyl-2-thiazolyl)ethenyl)phenyl)amino)-2,2-diethyl-4-oxo-, (e)-
  • d02846
CAS Number(s)
  • 128312-51-6
InChIKey BZMKNPGKXJAIDV-VAWYXSNFSA-N
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