N-[(15R,16S,17R,18S)-17-Methoxy-17,18-Dimethyl-5-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaen-16-Yl]-N-Methylbenzamide

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Properties Simple | Detailed

Formula C35H30N4O4
IUPAC Name n-[(15r,16s,17r,18s)-17-methoxy-17,18-dimethyl-5-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaen-16-yl]-n-methylbenzamide
Molecular Mass 570.637 g·mol−1
Heat of Formation -161.8 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 647.31 Å 3
Surface Area 467.27 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-n-benzoylstaurosporine
  • benzamide, n-((9s,10r,11r,13r)-2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1h,9h-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-n-methyl-
  • benzamide, n-(2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-1-oxo-8,12-epoxy-1h,8h-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-10-yl)-n-methyl-, (8alpha,9beta,10beta,12alpha)-
  • benzoylstaurosporine
  • cgp 41 251
  • cgp 41251
  • pkc 412
CAS Number(s)
  • 120685-11-2
InChIKey IIQIEMHSDLLZQA-QZPVEUDVSA-N
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