Chemical Properties of Betamethasone dipropionate (CAS 5593-20-4)

Betamethasone dipropionate

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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-/m1/s1
InChI Key
CIWBQSYVNNPZIQ-KLRSCUJKSA-N
Formula
C28H37FO7
SMILES
CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C
Molecular Weight1
504.59
CAS
5593-20-4
Other Names
  • (11«beta»,16«beta»)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate
  • 9-Fluoro-11«beta»,17,21-trihydroxy-16«beta»-methylpregna-1,4-diene-3,20-dione 17,21-dipropionate
  • Betamethasone 17,21-dipropionate
  • Diproderm
  • Diprolene
  • Diprophos
  • Diprosis
  • Diprosone
  • Maxivate
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11«beta»,16«beta»)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-«beta»,17,21-trihydroxy-16-«beta»-methyl-,17,21-dipropionate
  • Psorion
  • Rinderon-DP
  • S-3440
  • Sch-11460
Sources

Physical Properties

Property Value Unit Source
Δf -686.11 kJ/mol Joback Calculated Property
Δfgas -1365.38 kJ/mol Joback Calculated Property
Δfus 45.31 kJ/mol Joback Calculated Property
Δvap 119.01 kJ/mol Joback Calculated Property
logPoct/wat 3.82 Crippen Calculated Property
Pc 1173.63 kPa Joback Calculated Property
Tboil 1239.65 K Joback Calculated Property
Tc 1522.41 K Joback Calculated Property
Tfus 876.04 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1708.55 J/mol×K 1239.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 1
-CH2- 3
-CH3 5
>C< (ring) 4
>C=O (nonring) 3
>CH- (ring) 4
-CH2- (ring) 4
>C=O (ring) 1

Similar Compounds

Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. TRIAMCINOLONE DIACETATE. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. Betamethasone. Dexamethasone. Triamcinolone acetonide. Triamcinolone. Dexamethasone, disodium phosphate. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. Dexamethasone tetra-TMS. Budesonide. Triamcinolone tetra-TMS. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. Isoflupredone, tetra-TMS. Betamethasone tetra-TMS.

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