(7S)-1,2,3-Trimethoxy-7-(Methylamino)-10-(Methylsulfanyl)-6,7-Dihydrobenzo[A]Heptalen-9(5H)-One

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Formula C21H25NO4S
IUPAC Name (7s)-1,2,3-trimethoxy-7-(methylamino)-10-methylsulfanyl-6,7-dihydro-5h-benzo[a]heptalen-9-one
Molecular Mass 387.493 g·mol−1
Heat of Formation -359.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 459.74 Å 3
Surface Area 363.77 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (7s)-1,2,3-trimethoxy-7-methylamino-10-(methylthio)-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • (7s)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5h-benzo[g]heptalen-9-one
  • benzo[a]heptalen-9(5h)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (s)-
  • colchicine analog
CAS Number(s)
  • 76129-11-8
InChIKey RRCKMQLZGKWNPR-HNNXBMFYSA-N
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