Cas no 84116-46-1 ((5alpha)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one)

(5alpha)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one structure
84116-46-1 structure
Product Name:(5alpha)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one
CAS No:84116-46-1
MF:C16H15NO4
MW:285.294604539871
CID:888739
PubChem ID:15605738
Update Time:2025-04-19

(5alpha)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one Chemical and Physical Properties

Names and Identifiers

    • (5alpha)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one
    • 84116-46-1
    • DTXSID10892372
    • EINECS 282-186-5
    • SCHEMBL13640606
    • NS00058484
    • 14-hydroxynormorphinone
    • 14-Hydroxynor-morphinone
    • Inchi: 1S/C16H15NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-4,11,14,17-18,20H,5-7H2/t11-,14+,15+,16-/m1/s1
    • InChI Key: WJZVCRUPHQAKSZ-IPOQPSJVSA-N
    • SMILES: O1C2=C(C=CC3C[C@@H]4[C@@]5(C=CC([C@H]1[C@@]5(C=32)CCN4)=O)O)O

Computed Properties

  • Exact Mass: 285.10010796g/mol
  • Monoisotopic Mass: 285.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 548
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 78.8?2
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