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]-, sodium salt (1:1)

CAS Registry Number®

289480-64-4
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CAS Name

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]-, sodium salt (1:1)

Molecular Formula

C23H34O5.Na

Cite this Page

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]-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=289480-64-4 (retrieved 2024-04-19) (CAS RN: 289480-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H34O5.Na/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=RCKWZOAISRYANP-ZSESPEEFSA-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].[Na]

Canonical SMILES

[Na].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]-, sodium salt (1:1)
  • 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]-, monosodium salt
  • Remodulin
  • Treprostinil sodium
  • UT 15

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