chempirical

Triamcinolone diacetate

C25H31FO8CAS 67-78-7478.51 g/mol

Open in Covalent MOL file
OOOHOOOOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C25H31FO8
Molar mass
478.51 g/mol
Exact mass
478.2003 Da
Melting point
235 °C
logP
1.76Crippen estimate
Polar surface area
127.2 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
4
Stereocentres
S, R, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
67-78-7
SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
XGMPVBXKDAHORN-RBWIMXSLSA-N
InChI
InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-,25+/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, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,16α,17,21-tetrahydroxy-, 16,21-diacetate
  • (11β,16α)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • Aristocort diacetate forte
  • Aristocort diacetate parenteral
  • Aristocort forte
  • 16α,21-Diacetoxy-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione
  • δ1-9α-Fluoro-16α-hydroxyhydrocortisone diacetate
  • 9α-Fluoro-16α-hydroxyprednisolone 16,21-diacetate
  • 9α-Fluoro-1,4-pregnadiene-11β,16α,17α,21-tetraol-3,20-dione 16,21-diacetate
  • 9-Fluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-diacetate
  • δ1-16α-Hydroxy-9α-fluorohydrocortisone diacetate
  • 16α-Hydroxy-9α-fluoroprednisolone diacetate
  • Kenacourt
  • Orion
  • Triamcinolone 16,21-diacetate
  • Aristocort parenterals
  • Polcortolon
  • 8357RP
  • Tedarol
  • Triamolone 40
  • Aristocort forte parenteral
  • Aristocort syrup
  • Tracilon
  • Cenacort
  • TAC-D
  • Kenacort diacetate Syrup
  • CINO 40

Work with Triamcinolone diacetate

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

Dexamethasone acetate1177-87-383 % similar Betamethasone acetate987-24-683 % similar Isoflupredone acetate338-98-773 % similar (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione3870-07-373 % similar Triamcinolone124-94-768 % similar Betamethasone378-44-965 % similar Dexamethasone50-02-265 % similar Dexamethasone palmitate14899-36-665 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook