(2R,3R,4S,6S)-3-Methoxy-2-Methyl-4-(Methylamino)-29-Oxa-1,7,17-Triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]Nonacosa-8,10,12,14,19,21,23,25,27-Nonaene-16,18-Dione

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Formula C28H22N4O4
IUPAC Name (2r,3r,4s,6s)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1 2,6 .0 7,28 .0 8,13 .0 15,19 .0 20,27 .0 21,26 ]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione
Molecular Mass 478.499 g·mol−1
Heat of Formation -229.7 ± 16.7 kJ·mol−1
Dipole Moment 9.73 ± 1.08 D
Volume 533.12 Å 3
Surface Area 407.33 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 7-oxostaurosporine
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-1m)pyrrolo(3,4-j)(1,7)benzodiazonine-1,3(2h)-dione, 10,11,12,13-tetrahydro-10-methoxy-9-methyl-11-(methylamino)-, (9r-(9alpha,10beta,11beta,13alpha))-
  • 9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonine-1,3(2h)-dione, 10,11,12,13-tetrahydro-10-methoxy-9-methyl-11-(methylamino)-, (9r-(9alpha,10beta,11beta,13alpha))-
  • rk 1409
  • rk-1409
CAS Number(s)
  • 141196-69-2
  • 125035-83-8
InChIKey POTTVLREWUNNRO-MHIBKGSMSA-N
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