1-(6-((17β-3-Methoxyestra-1,3,5(10)-Triene-17-Yl)Amino)Hexyl)-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C29H42N2O3
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]pyrrolidine-2,5-dione
Molecular Mass 466.655 g·mol−1
Heat of Formation -637.8 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 601.91 Å 3
Surface Area 512.72 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[6-[((17beta)-3-methoxyestra-1,3,5[10]-trien-17-yl)amino]hexyl]-2,5-pyrrolidinedione
  • 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]pyrrolidine-2,5-quinone
  • 2,5-pyrrolidinedione, 1-(6-(((17beta)-3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-
  • u 73343
  • u-73343
CAS Number(s)
  • 142878-12-4
InChIKey CJHWFIUASFBCKN-ZRJUGLEFSA-N
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