chempirical

Triamcinolone

C21H27FO6CAS 124-94-7394.44 g/mol

Open in Covalent MOL file
OHOHOOHOOHF
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C21H27FO6
Molar mass
394.44 g/mol
Exact mass
394.1792 Da
Melting point
269–271 °C
logP
0.62Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, S, S, R, S, S, S, Rin SMILES atom order

Identifiers

CAS 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
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

28 names · show all
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-
  • (11β,16α)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
  • Aristocort
  • 9α-Fluoro-16α-hydroxyprednisolone
  • 9α-Fluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione
  • 9α-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
  • Fluoxyprednisolone
  • Rodinolone
  • 11β,16α,17α,21-Tetrahydroxy-9α-fluoro-1,4-pregnadiene-3,20-dione
  • 11β,16α,17α,21-Tetrahydroxy-9α-fluoro-δ1,4-pregnadiene-3,20-dione
  • 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
  • Triamcinolon
  • Delphicort
  • Volon
  • Triamcinlon
  • Adcortyl
  • CL 19823
  • Ledercort
  • Kenacort
  • Polcortolon
  • Kenacort AG
  • Tricortale
  • Omicilon
  • Cinolone
  • NSC 13397
  • Mycolog
  • Fluoxiprednisolone

Work with Triamcinolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Betamethasone378-44-987 % similar Dexamethasone50-02-287 % similar Clobetasol25122-41-272 % similar Triamcinolone acetonide76-25-572 % similar Dexamethasone acetate1177-87-368 % similar Triamcinolone diacetate67-78-768 % similar Betamethasone acetate987-24-668 % similar Beclomethasone4419-39-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook