Cas no 63732-64-9 ((5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt))

(5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt) structure
63732-64-9 structure
Product Name:(5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt)
CAS No:63732-64-9
MF:C22H27NO9
MW:449.451087236404
CID:1657687
PubChem ID:5745711
Update Time:2025-04-21

(5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt) Chemical and Physical Properties

Names and Identifiers

    • (5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt)
    • (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,(2R,3R)-2,3-dihydroxybutanedioic acid
    • Isocodeine acid tartrate
    • 63732-64-9
    • 2,3-Dihydroxybutanedioic acid--3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol (1/1)
    • DTXSID30980225
    • Morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate
    • Inchi： 1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3-6,11-13,17,20H,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,13+,17-,18-;1-,2-/m01/s1
    • InChI Key： QWCVZUWXJKOPRS-KDESYCFDSA-N
    • SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@H]([C@H]1[C@@]5(C=32)CCN4C)O)OC.O[C@@H](C(=O)O)[C@H](C(=O)O)O

Computed Properties

  • Exact Mass: 449.168581
  • Monoisotopic Mass: 449.168581
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 642
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 157

Experimental Properties

  • Boiling Point: 462°C at 760 mmHg
  • Flash Point: 233.2°C

(5alpha,6beta)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 2,3-dihydroxybutanedioate (salt) Related Literature

Related Categories

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