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Molecule

Fluocinolone 16,17-Acetonide

CAS: 67-73-2 · C24H30F2O6

2D Structure

3D Structure

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Basic Information

CAS Registry Number
67-73-2
Molecular Formula
C24H30F2O6
Molecular Mass
452.49 g/mol

Identifiers

CAS Registry Number

67-73-2

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

InChI Key

FEBLZLNTKCEFIT-VSXGLTOVSA-N

InChI

InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Names and Synonyms

  • Fluocinolone 16,17-Acetonide Synonym
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)- Synonym
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone Synonym
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv. Synonym
  • (6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione Synonym
  • 6α,9α-Difluoro-16α,17α-isopropylidenedioxy-Δ1-hydrocortisone Synonym
  • 6α,9α-Difluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide Synonym
  • 6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17 acetal with acetone Synonym
  • Fluocinolone acetonide Synonym
  • 16α,17α-Isopropylidene-6α,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione Synonym
  • Synalar Synonym
  • Fluocinolone 16,17-acetonide Synonym
  • 6α-Fluorotriamcinolone acetonide Synonym
  • 6α,9α-Difluoro-16α-hydroxyprednisolone 16,17-acetonide Synonym
  • Dermalar Synonym
  • Jellin Synonym
  • Synamol Synonym
  • Synsac Synonym
  • Synandone Synonym
  • Localyn Syntex Synonym
  • Fluovitif Synonym
  • 6α,9-Difluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione Synonym
  • Sinalar Synonym
  • Radiocin Synonym
  • RS 1401AT Synonym
  • Synandrone Synonym
  • Percutina Synonym
  • Prodermin Synonym
  • Dermatin Synonym
  • Synaflan Synonym
  • Dermatin (steroid) Synonym
  • Fluocinolone 16α,17α-acetonide Synonym
  • Fluzon Synonym
  • Synotic Synonym
  • Fluovitef Synonym
  • NSC 92339 Synonym
  • Coriphate Synonym
  • Fluonid Synonym
  • Localyn Synonym
  • Synemol Synonym
  • Cortiplastol Synonym
  • Fluvean Synonym
  • Retisert Synonym
  • Sinaflan Synonym
  • Iluvien Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 452.49 g/mol CAS Common Chemistry
452.49400000000026 g/mol RDKit
452.494 g/mol RDKit
Canonical SMILES O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C)C CAS Common Chemistry
InChI InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1 CAS Common Chemistry
InChI Key InChIKey=FEBLZLNTKCEFIT-VSXGLTOVSA-N CAS Common Chemistry
Melting Point 266 °C CAS Common Chemistry
Name Fluocinolone 16,17-acetonide CAS Common Chemistry
Heavy Atom Count 32 RDKit
Hydrogen Bond Acceptors 6 RDKit
Hydrogen Bond Donors 2 RDKit
Rotatable Bonds 2 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 93.06 Ų RDKit
LogP 2.366800000000001 RDKit
2.3668 RDKit
Molar Refractivity 108.87760000000004 cm³/mol RDKit
Ring Count 5 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.75 RDKit
Exact Mass 452.2010451199999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 452.49 g/mol. Edit any field — others recompute live.

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