Cas no 1879-77-2 (Doxybetasol)

Doxybetasol structure
Doxybetasol structure
Product Name:Doxybetasol
CAS No:1879-77-2
MF:C22H29FO4
MW:376.461670637131
CID:192411
PubChem ID:71106
Update Time:2025-04-19

Doxybetasol Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,9-fluoro-11,17-dihydroxy-16-methyl-, (11b,16b)-
    • 16β-methyl-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione
    • Doxybetasol
    • (11beta,16beta)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
    • 443
    • 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
    • Doxibetasol
    • Doxibetasol [INN]
    • Doxibetasolum
    • Doxibetasolum [INN-Latin]
    • GR 2
    • UNII-0JS043FG0D
    • 9-Fluoro-16-methylpregna-1,4-diene-11,17-diol-3,20-dione
    • 9-Fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
    • 16β-Methyl-11β,17-dihydroxy-9-fluoro-5α-pregnane-1,4-diene-3,20-dione
    • (8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • (8S,9R,10S,11S,13S,14S,16S,17R)-17-ethanoyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • NS00000122
    • GR 2/443 [as propionate]
    • 9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
    • EINECS 217-535-2
    • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
    • 0JS043FG0D
    • Doxibetasol [INN:BAN]
    • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-, (11.beta.,16.beta.)-
    • 21-deoxy-betamethasone
    • SCHEMBL140220
    • Q27236870
    • 1879-77-2
    • CHEMBL3989430
    • DTXSID401043190
    • Inchi: 1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1
    • InChI Key: IKGBPSZWCRRUQS-DTAAKRQUSA-N
    • SMILES: F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(C)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

Computed Properties

  • Exact Mass: 376.20507
  • Monoisotopic Mass: 376.205
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 787
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 74.6A^2

Experimental Properties

  • Density: 1.25
  • Boiling Point: 527.1°Cat760mmHg
  • Flash Point: 272.6°C
  • Refractive Index: 1.574
  • PSA: 74.6
  • LogP: 2.92330

Doxybetasol Pricemore >>

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