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Treprostinil

CAS Registry Number®

81846-19-7
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CAS Name

Treprostinil

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

Treprostinil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81846-19-7 (retrieved 2024-04-18) (CAS RN: 81846-19-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    126-127 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

InChIKey=PAJMKGZZBBTTOY-ZFORQUDYSA-N

SMILES

C(C[C@H](CCCCC)O)[C@@H]1[C@@]2([C@@](CC=3C(C2)=CC=CC3OCC(O)=O)(C[C@H]1O)[H])[H]

Canonical SMILES

O=C(O)COC1=CC=CC2=C1CC3CC(O)C(CCC(O)CCCCC)C3C2

Other Names for this Substance

  • Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-
  • Acetic acid, [[2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-(3-hydroxyoctyl)-1H-benz[f]inden-5-yl]oxy]-, [1R-[1α(S*),2β,3aα,9aα]]-
  • Acetic acid, [[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-
  • 1H-Benz[f]indene, acetic acid deriv.
  • 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]acetic acid

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Deleted or Replaced CAS Registry Numbers

1162106-72-0

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