(6α,11β)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione

CAS Registry Number®

23640-96-2
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CAS Name

(6α,11β)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione

Molecular Formula

C25H32F2O6

Molecular Mass

466.51

Cite this Page

(6α,11β)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23640-96-2 (retrieved 2024-04-28) (CAS RN: 23640-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-196 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3/t15-,16-,18-,19-,22-,23-,24-,25-/m0/s1

InChIKey

InChIKey=BQEJAAIPKDQEPV-MXHGPKCJSA-N

SMILES

O(C(CCC)=O)[C@@]1(C(CO)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)CCC)(C(=O)CO)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-17-(1-oxobutoxy)-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-, 17-butyrate
  • Butyric acid, 17-ester with 6α,9-difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
  • (6α,11β)-6,9-Difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione
  • 6α,9-Difluoroprednisolone 17-butyrate

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