1-(6-{[(17β)-3-Methoxyestra-1,3,5(10)-Trien-17-Yl]Amino}Hexyl)-1H-Pyrrole-2,5-Dione

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Properties Simple | Detailed

Formula C29H40N2O3
IUPAC Name 1-[6-[[(8r,9s,13s,14s,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
Molecular Mass 464.640 g·mol−1
Heat of Formation -482.7 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 592.1 Å 3
Surface Area 454.21 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1h-pyrrole-2,5-dione
  • 1-[6-[((17beta)-3-methoxyestra-1,3,5[10]-trien-17-yl)amino]hexyl]-1h-pyrrole-2,5-dione
  • 1-[6-[[(8r,9s,13s,14s,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]-3-pyrroline-2,5-quinone
  • 1-[6-[[(8r,9s,13s,14s,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
  • 1h-pyrrole-2,5-dione, 1-(6-(((17beta)-3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-
  • bio1_000364
  • bio1_000853
  • bio1_001342
  • molmap_000051
  • u 73122
  • u-73,122
  • u-73122
CAS Number(s)
  • 112648-68-7
InChIKey LUFAORPFSVMJIW-ZRJUGLEFSA-N
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