Tirilazad

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Formula C38H52N6O2
IUPAC Name (8s,10s,13s,14s,16r,17s)-17-[2-[(1r)-4-[2,6-di(pyrrol-1-yl)pyrimidine-1,3-diium-4-yl]-2h-pyrazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 624.858 g·mol−1
Heat of Formation -96.9 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 780.48 Å 3
Surface Area 629.21 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-(2,6-di1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-1-oxoethyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,16r,17s)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanoyl]-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
  • pnu 74006f
  • pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)erazinyl)-16-methyl-, (16alpha)-
  • u 74006
CAS Number(s)
  • 110101-66-1
InChIKey RBKASMJPSJDQKY-RBFSKHHSSA-N
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