chempirical

Flumethasone pivalate

C27H36F2O6CAS 2002-29-1494.58 g/mol

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AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C27H36F2O6
Molar mass
494.58 g/mol
Exact mass
494.2480 Da
logP
3.44Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
R, S, S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
2002-29-1
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C
InChIKey
JWRMHDSINXPDHB-OJAGFMMFSA-N
InChI
InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16α-methyl-, 21-pivalate
  • Pivalic acid, 21-ester with 6α,9-difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • (6α,11β,16α)-21-(2,2-Dimethyl-1-oxopropoxy)-6,9-difluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 6α,9α-Difluoro-16α-methylprednisolone 21-pivalate
  • 6α,9α-Difluoro-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione 21-pivalate
  • Locacorten
  • Locorten
  • Flumetasone pivalate
  • Flumethasone 21-pivalate
  • Lorinden
  • Flumetasone 21-pivalate
  • NSC 107680
  • Losalen

Work with Flumethasone pivalate

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

Flumetasone2135-17-378 % similar Diflorasone2557-49-578 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid80473-92-374 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-272 % similar Fluticasone90566-53-369 % similar Diflorasone diacetate33564-31-767 % similar Dexamethasone acetate1177-87-364 % similar Betamethasone acetate987-24-664 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook