Cas no 117152-64-4 (Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI))

Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI) structure
117152-64-4 structure
Product Name:Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI)
CAS No:117152-64-4
MF:C19H21NO3S
MW:343.439944028854
CID:172865
PubChem ID:5748415
Update Time:2025-04-19

Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI)
    • (-)-6beta-Acetylthionormorphine
    • S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate
    • KT 88
    • S-[(5alpha,6beta)-3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl] ethanethioate
    • (-)-6β-Acetylthiomorphine
    • 6β-Acetylthio-7,8-didehydro-4,5α-epoxy-17-methylmorphinan-3-ol
    • 6-Acetylthiomorphine
    • Morphinan-3-ol, 6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6beta)-
    • 117152-64-4
    • KT-88
    • DTXSID30151711
    • S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate
    • Inchi： 1S/C19H21NO3S/c1-10(21)24-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)23-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15+,18-,19-/m0/s1
    • InChI Key： IQAOQEHSVLTFRY-MKUCUKIISA-N
    • SMILES： S(C(C)=O)[C@@H]1C=C[C@H]2[C@H]3CC4C=CC(=C5C=4[C@@]2(CCN3C)[C@H]1O5)O

Computed Properties

  • Exact Mass: 343.12433
  • Monoisotopic Mass: 343.12421471g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 595
  • 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: 1.9
  • Topological Polar Surface Area: 75.1?2

Experimental Properties

  • PSA: 49.77

Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI) Related Literature

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117152-64-4 (Morphinan-3-ol,6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5a,6b)- (9CI)) Related Products

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