Cas no 15845-96-2 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)-)

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)- structure
15845-96-2 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)-
CAS No:15845-96-2
MF:C27H36F2O5
MW:478.568555831909
CID:146810
PubChem ID:66381
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)-
    • [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
    • DIFLUCORTOLONE PIVALATE
    • (6alpha,11beta,16alpha)-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
    • 6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
    • Diflucortolone pivalate [USAN]
    • Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6alpha,11beta,16alpha)-
    • SH 968
    • UNII-ZR05N78276
    • 6α,9-Difluoro-11β-hydroxy-16α-methyl-21-pivaloyloxypregna-1,4-diene-3,20-dione
    • 6α,9-Difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate
    • SH-968
    • CHEMBL2106277
    • Q27295854
    • D03813
    • DIFLUCORTOLONE PIVALATE [MART.]
    • DB14664
    • [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-Difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]2,2-dimethylpropanoate
    • ZR05N78276
    • Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6.alpha.,11.beta.,16.alpha.)-
    • SCHEMBL668256
    • 15845-96-2
    • Difluocortolone pivalate
    • Diflucortolone pivalate (USAN)
    • DTXSID70166425
    • NS00015403
    • EINECS 239-953-4
    • Inchi： 1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
    • InChI Key： UWGRWFCLGQWKPR-GSTUPEFVSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3[C@H](C[C@H]1[C@@H]1C[C@@H](C)[C@H](C(COC(C(C)(C)C)=O)=O)[C@@]1(C)C[C@@H]2O)F)=O)C

Computed Properties

  • Exact Mass: 478.25318
  • Monoisotopic Mass: 478.25308057g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 5
  • Complexity: 980
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 80.67

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)- Security Information

  • WGK Germany：3

Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)- Related Literature

15845-96-2 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6a,11b,16a)-) Related Products

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