Acetamide, N-(5,6,7,9-Tetrahydro-2-Hydroxy-1,3-Dimethoxy-10-(Methylthio)-9-Oxobenzo(A)Heptalen-7-Yl)-, (S)-

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Properties Simple | Detailed

Formula C21H23NO5S
IUPAC Name n-[(7s)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 401.476 g·mol−1
Heat of Formation -596.3 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 468.92 Å 3
Surface Area 377.74 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2-demethylthiocolchicine
  • acetamide, n-[(7s)-5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
  • benzo[a]heptalene, acetamide deriv.
  • colchicine, o(sup 2)-demethyl-10-thio-
  • n-[(7s)-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • n-[(7s)-2-hydroxy-9-keto-1,3-dimethoxy-10-(methylthio)-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • o(sup 2)-demethyl-10-thiocolchicine
  • thiocolchicine analog
CAS Number(s)
  • 87424-26-8
InChIKey OMQLBXIHBJAOIO-HNNXBMFYSA-N
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