Isoflupredone acetate

CAS Registry Number®

338-98-7
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CAS Name

Isoflupredone acetate

Molecular Formula

C23H29FO6

Molecular Mass

420.47

Cite this Page

Isoflupredone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=338-98-7 (retrieved 2024-04-27) (CAS RN: 338-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    244-246 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1

InChIKey

InChIKey=ZOCUOMKMBMEYQV-GSLJADNHSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(COC(C)=O)=O)(O)CC3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-, 21-acetate
  • (11β)-21-(Acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • Predef
  • 9-Fluoroprednisolone 21-acetate

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Deleted or Replaced CAS Registry Numbers

26906-38-7, 1092535-27-7

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