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Molecule

Triamcinolone

CAS: 124-94-7 · C21H27FO6

2D Structure

3D Structure

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Basic Information

CAS Registry Number
124-94-7
Molecular Formula
C21H27FO6
Molecular Mass
394.44 g/mol

Identifiers

CAS Registry Number

124-94-7

SMILES

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F

InChI Key

GFNANZIMVAIWHM-OBYCQNJPSA-N

InChI

InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1

Names and Synonyms

  • Triamcinolone Common Name
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11β,16α)- Synonym
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy- Synonym
  • (11β,16α)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Synonym
  • Aristocort Synonym
  • 9α-Fluoro-16α-hydroxyprednisolone Synonym
  • 9α-Fluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione Synonym
  • 9α-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Synonym
  • Fluoxyprednisolone Synonym
  • Rodinolone Synonym
  • 11β,16α,17α,21-Tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione Synonym
  • 11β,16α,17α,21-Tetrahydroxy-9α-fluoro-Δ1,4-pregnadiene-3,20-dione Synonym
  • Triamcinolone Synonym
  • 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Synonym
  • Triamcinolon Synonym
  • Delphicort Synonym
  • Volon Synonym
  • Triamcinlon Synonym
  • Adcortyl Synonym
  • CL 19823 Synonym
  • Ledercort Synonym
  • Kenacort Synonym
  • Polcortolon Synonym
  • Kenacort AG Synonym
  • Tricortale Synonym
  • Omicilon Synonym
  • Cinolone Synonym
  • NSC 13397 Synonym
  • Mycolog Synonym
  • Fluoxiprednisolone Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 394.44 g/mol CAS Common Chemistry
394.4390000000002 g/mol RDKit
394.439 g/mol RDKit
Canonical SMILES O=C1C=CC2(C(=C1)CCC3C4CC(O)C(O)(C(=O)CO)C4(C)CC(O)C32F)C CAS Common Chemistry
InChI InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1 CAS Common Chemistry
InChI Key InChIKey=GFNANZIMVAIWHM-OBYCQNJPSA-N CAS Common Chemistry
Melting Point 269-271 °C CAS Common Chemistry
Name Triamcinolone CAS Common Chemistry
Heavy Atom Count 28 RDKit
Hydrogen Bond Acceptors 6 RDKit
Hydrogen Bond Donors 4 RDKit
Rotatable Bonds 2 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 115.06 Ų RDKit
LogP 0.6204999999999998 RDKit
0.6205 RDKit
Molar Refractivity 96.78720000000003 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.7143 RDKit
0.71 chempirical lib
Exact Mass 394.179166804 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 = 394.44 g/mol. Edit any field — others recompute live.

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