Cas no 72878-47-8 (Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI))

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI) structure
72878-47-8 structure
Product Name:Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI)
CAS No:72878-47-8
MF:C22H25NO6
MW:399.43700671196
CID:569624
PubChem ID:5491143
Update Time:2025-04-19

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI)
    • 4-[[(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]oxy]-4-oxobutanoic acid
    • 6-succinylcodeine
    • 4-[(3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl)oxy]-4-oxobutanoic acid
    • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, butanedioate (1:1) (ester), (5alpha,6alpha)-
    • 72878-47-8
    • 4-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-4-oxobutanoic acid
    • DTXSID60993661
    • Inchi： 1S/C22H25NO6/c1-23-10-9-22-13-4-6-16(28-18(26)8-7-17(24)25)21(22)29-20-15(27-2)5-3-12(19(20)22)11-14(13)23/h3-6,13-14,16,21H,7-11H2,1-2H3,(H,24,25)/t13-,14+,16-,21-,22-/m0/s1
    • InChI Key： YTFGQBAWQOQQBO-NEKAMENDSA-N
    • SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)OC(CCC(=O)O)=O)OC

Computed Properties

  • Exact Mass: 399.16825
  • Monoisotopic Mass: 399.16818752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 724
  • 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: -1.1
  • Topological Polar Surface Area: 85.3?2

Experimental Properties

  • PSA: 85.3

Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, hydrogen butanedioate (ester), (5a,6a)- (9CI) Related Literature

Related Categories

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