chempirical

Betamethasone dipropionate

C28H37FO7CAS 5593-20-4504.60 g/mol

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AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C28H37FO7
Molar mass
504.60 g/mol
Exact mass
504.2523 Da
Melting point
232 °C (decomposes)
logP
3.82Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
6
Stereocentres
R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
5593-20-4
SMILES
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[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
CIWBQSYVNNPZIQ-XYWKZLDCSA-N
InChI
InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • β-Methasone 17,21-dipropionate
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17,21-dipropionate
  • (11β,16β)-9-Fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • Diprosone
  • S 3440
  • Diproderm
  • Betamethasone 17,21-dipropionate
  • Diprolene
  • Diprosis
  • Psorion
  • Maxivate
  • Rinderon DP
  • Diprophos
  • Sch 11460
  • Diprospan
  • Diprosen

Work with Betamethasone dipropionate

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

Clobetasol propionate25122-46-784 % similar Beclomethasone dipropionate5534-09-882 % similar Betamethasone valerate2152-44-573 % similar Dexamethasone palmitate14899-36-669 % similar Dexamethasone acetate1177-87-367 % similar Betamethasone acetate987-24-667 % similar Halobetasol propionate66852-54-865 % similar Betamethasone378-44-963 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook