21-{4-[2,6-Di(1-Pyrrolidinyl)-4-Pyrimidinyl]-1-Piperazinyl}Pregna-1,4,9(11)-Triene-3,20-Dione

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Formula C37H50N6O2
IUPAC Name (8s,10s,13s,14s,17s)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 610.832 g·mol−1
Heat of Formation -68.6 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 758.36 Å 3
Surface Area 613.18 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10s,13s,14s,17s)-17-[2-[4-(2,6-di1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-1-oxoethyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,17s)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,17s)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
InChIKey LBGLGTAQLROFTM-IVXSZDMTSA-N
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