Treprostinil [Usan:Inn]

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name 2-[[(1s,2s,3ar,9ar)-2-hydroxy-1-[(3r)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Molecular Mass 390.513 g·mol−1
Heat of Formation -1069.8 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 495.35 Å 3
Surface Area 414.35 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • ((1r,2r,3as,9as)-2-hydroxy-1-((3s)-3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1h-cylopent(b)naphthalen-5-yl)oxy)acetate
  • ((2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((3s)-3-hydroxyoctyl)-1h-benz(f)inden- 5-y
  • 2-[[(2s,3s,3ar,9ar)-2-hydroxy-3-[(3r)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid
  • 2-[[(2s,3s,3ar,9ar)-2-hydroxy-3-[(3r)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]ethanoic acid
  • acetic acid, ((2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-(3-hydroxyoctyl)-1h-benz(f)inden-5-yl)oxy)-, (1r-(1alpha(s*),2beta,3aalpha,9aalpha))-
  • lrx 15
  • treprostinil
  • u 62840
  • u-62,840
InChIKey PAJMKGZZBBTTOY-YRIDSSQKSA-N
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