Cas no 6703-27-1 (Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)-)

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)- structure
6703-27-1 structure
Product Name:Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)-
CAS No:6703-27-1
MF:C20H23NO4
MW:341.40092587471
CID:506061
Update Time:2025-04-19

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)- Chemical and Physical Properties

Names and Identifiers

    • Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)-
    • 6-O-Acetyl Codeine
    • 6-ACETYLCODEINE
    • 6-Acetylcodeine solution
    • ACETYLCODEINE [CONTROLLED SUBSTANCE] , CRM STANDARD
    • [(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate
    • Inchi: 1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
    • InChI Key: MFXFQKMUCYHPFQ-BKRJIHRRSA-N
    • SMILES: O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)OC(C)=O)OC

Computed Properties

  • Exact Mass: 341.16300
  • Monoisotopic Mass: 341.162708
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 607
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 48

Experimental Properties

  • Color/Form: White crystals
  • Density: 1.3
  • Melting Point: 132-134°C
  • Boiling Point: 461.2 °C at 760 mmHg
  • Flash Point: 2℃
  • Refractive Index: 1.627
  • PSA: 48.00000
  • LogP: 2.00980

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)- Security Information

  • Hazardous Material transportation number:UN 1648 3 / PGII
  • Hazard Category Code: 11-20/21/22-36
  • Safety Instruction: 16-36/37
  • Hazardous Material Identification: F Xn

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5a,6a)- Production Method

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