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

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Properties Simple | Detailed

Formula C22H25NO5S
IUPAC Name n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 415.503 g·mol−1
Heat of Formation -585.7 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 485.9 Å 3
Surface Area 382.76 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 10-demethoxy-10-methylthiocolchicine
  • acetamide, n-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (s)- (9ci)
  • acetamide, n-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (s)-
  • colchicine, 10-demethoxy-10-(methylthio)-
  • colchicine, 10-thio-
  • n-[(7s)-1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • n-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • thiocolchicine
CAS Number(s)
  • 2730-71-4
InChIKey CMEGANPVAXDBPL-INIZCTEOSA-N
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