chempirical

Dexamethasone palmitate

C38H59FO6CAS 14899-36-6630.88 g/mol

Open in Covalent MOL file
OOOOHOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C38H59FO6
Molar mass
630.88 g/mol
Exact mass
630.4296 Da
Melting point
60–65 °C
logP
7.93Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
17
Stereocentres
R, R, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
14899-36-6
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
WDPYZTKOEFDTCU-WDJQFAPHSA-N
InChI
InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexadecyl)oxy]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-palmitate
  • Palmitic acid, 21-ester with 9-fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexadecyl)oxy]pregna-1,4-diene-3,20-dione
  • Dexamethasone 21-palmitate
  • Limethason
  • Lipotalon
  • Limethasone

Work with Dexamethasone palmitate

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 acetate1177-87-377 % similar Betamethasone acetate987-24-677 % similar Betamethasone378-44-971 % similar Dexamethasone50-02-271 % similar Clobetasol25122-41-270 % similar Betamethasone valerate2152-44-569 % similar Betamethasone dipropionate5593-20-469 % similar Betamethasone sodium phosphate151-73-567 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook