Halopredone acetate

CAS Registry Number®

57781-14-3

CAS Name

Halopredone acetate

Molecular Formula

C25H29BrF2O7

Molecular Mass

559.39

Cite this Page

Halopredone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57781-14-3 (retrieved 2024-11-25) (CAS RN: 57781-14-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    291 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1

InChIKey

InChIKey=YCISZOVUHXIOFY-HKXOFBAYSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(C)=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(Br)=C4)[H])[H]

Canonical SMILES

O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Br)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxy-, (6β,11β)-
  • (6β,11β)-17,21-Bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxypregna-1,4-diene-3,20-dione
  • Halopredone acetate
  • Topicon
  • THS 201

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