Traxoprodil

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Properties Simple | Detailed

Formula C20H25NO3
IUPAC Name 1-[(1s,2s)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol
Molecular Mass 327.417 g·mol−1
Heat of Formation -433.0 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 408.82 Å 3
Surface Area 348.05 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • ( )-cp 101606
  • 1-[(1s,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenyl-piperidin-4-ol
  • 1-[(1s,2s)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol
  • 1-[(1s,2s)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-4-phenyl-4-piperidinol
  • 1-piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (alphas,betas)-
  • 1-piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (s-(r*,r*))-
  • cp 101606
  • cp 98113
  • cp101606
CAS Number(s)
  • 134234-12-1
InChIKey QEMSVZNTSXPFJA-HNAYVOBHSA-N
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