Raloxifene

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Properties Simple | Detailed

Formula C28H27NO4S
IUPAC Name [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone
Molecular Mass 473.583 g·mol−1
Heat of Formation -363.5 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 563.03 Å 3
Surface Area 461.14 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(4-hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone
  • (6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl)(4-(2-(piperidin-1-yl)ethoxy)phenyl)methanone
  • [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[(2-piperidin-1-ylethyl)oxy]phenyl}methanone
  • [6-hydroxy-2-(4-hydroxyphenyl)-3-benzothiophenyl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone
  • [6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone
  • bpbio1_000995
  • cmap_000032
  • keoxifene
  • ly 139481
  • methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-
  • ral
  • raloxifeno [spanish]
  • raloxifenum [latin]
  • smp2_000095
CAS Number(s)
  • 84449-90-1
InChIKey GZUITABIAKMVPG-UHFFFAOYSA-N
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