Fluocortin butyl

CAS Registry Number®

41767-29-7
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CAS Name

Fluocortin butyl

Molecular Formula

C26H35FO5

Molecular Mass

446.55

Cite this Page

Fluocortin butyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41767-29-7 (retrieved 2024-04-25) (CAS RN: 41767-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195.1 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3/t14-,16+,17+,19+,20+,21-,22-,25+,26+/m1/s1

InChIKey

InChIKey=XWTIDFOGTCVGQB-FHIVUSPVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(C[C@@H](C)[C@@H]2C(C(OCCCC)=O)=O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)C(=O)OCCCC)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-dien-21-oic acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, butyl ester, (6α,11β,16α)-
  • Butyl 6α-fluoro-11β-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-oate
  • Butyl 6a-fluoro-11β-hydroxy-16α-methyl-3,20-dioxopregna-1,4-dien-21-oate
  • Butyl 6α-fluoro-11β-hydroxy-3,20-dioxo-16α-methyl-1,4-pregnadien-21-oate
  • Fluocortin butyl

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Deleted or Replaced CAS Registry Numbers

55749-92-3, 73785-51-0

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