Cas no 56083-00-2 ((6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one)

(6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one structure
56083-00-2 structure
Product Name:(6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one
CAS No:56083-00-2
MF:C20H17NO6
MW:367.352085828781
CID:1596458
PubChem ID:185838
Update Time:2025-04-21

(6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one Chemical and Physical Properties

Names and Identifiers

    • (6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one
    • NCGC00017296-01
    • TNP00335
    • NCGC00017385-01
    • 19730-80-4
    • (-)-Bicuculline
    • SCHEMBL16320040
    • (6S)-6-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
    • Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-(+-)-
    • dl-Bicuculline
    • (+-)-Bicuculline
    • 56083-00-2
    • TNP00219
    • CHEMBL1316579
    • (6S)-6-[(5R)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
    • Inchi： 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m1/s1
    • InChI Key： IYGYMKDQCDOMRE-MSOLQXFVSA-N
    • SMILES： O1C(C2C3=C(C=CC=2[C@H]1[C@H]1C2C=C4C(=CC=2CCN1C)OCO4)OCO3)=O

Computed Properties

  • Exact Mass: 367.10561
  • Monoisotopic Mass: 367.10558726g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 615
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 66.5?2

Experimental Properties

  • PSA: 66.46

(6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one Related Literature

Related Categories

56083-00-2 ((6S)-6-[(5R)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one) Related Products

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