Cas no 15180-00-4 (Prednival)

Prednival structure
Prednival structure
Product Name:Prednival
CAS No:15180-00-4
MF:C26H36O6
MW:444.560448646545
CID:161504
PubChem ID:9824723
Update Time:2025-04-19

Prednival Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,11,21-dihydroxy-17-[(1-oxopentyl)oxy]-, (11b)-
    • PREDNIVAL
    • EINECS 239-228-2
    • Prednisolone 17-valerate
    • Prednival (USAN)
    • Prednival [USAN]
    • SureCN25387
    • UNII-3NJ3X78O0C
    • W 4869
    • W-4869
    • PREDNIVAL ACETATE
    • PREDNISOLONE ACETATE VALERATE
    • 17-VALERATE-21-ACETATE PREDNISOLONE
    • PREDNISOLONE-17-VALERATE, 21-ACETATE
    • 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-valerate
    • 11β,21-Dihydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
    • NS00024947
    • (8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl pentanoate
    • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-((1-oxopentyl)oxy)-, (11beta)-
    • CHEMBL2104719
    • 15180-00-4
    • SCHEMBL25387
    • Q27257760
    • CHEBI:135723
    • PREGNA-1,4-DIENE-3,20-DIONE, 11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)-, (11.BETA.)-
    • PREDNIVAL [MI]
    • D05603
    • (8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-ylpentanoate
    • 11-beta,17-21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate
    • (11.BETA.)-11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE
    • 3NJ3X78O0C
    • prednisolone valerate
    • PREDNISOLONE VALERATE [WHO-DD]
    • Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 17-valerate
    • AKOS027378701
    • [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
    • DTXSID80164876
    • PV
    • Prednival
    • Inchi： 1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
    • InChI Key： BOFKYYWJAOZDPB-FZNHGJLXSA-N
    • SMILES： O(C(CCCC)=O)[C@]1(C(CO)=O)CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Exact Mass: 444.25118886g/mol
  • Monoisotopic Mass: 444.25118886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 874
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Melting Point: 210-213°
  • Specific Rotation: D +3.5° (dioxane)

Prednival Pricemore >>

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