Cas no 106611-48-7 (4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1))

4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1) structure
106611-48-7 structure
Product Name:4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1)
CAS No:106611-48-7
MF:C45H39NO13
MW:801.790073633194
CID:1175923
PubChem ID:184684
Update Time:2025-04-20

4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1) Chemical and Physical Properties

Names and Identifiers

    • 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1)
    • 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-
    • Noscapine embonate
    • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1)
    • SCHEMBL10701499
    • DTXSID40910058
    • 106611-48-7
    • Noscapine Hydrogen Embonate
    • 4,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one (1/1)
    • Inchi： 1S/C23H16O6.C22H23NO7/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h1-10,24-25H,11H2,(H,26,27)(H,28,29);5-6,9,17-18H,7-8,10H2,1-4H3/t;17-,18+/m.1/s1
    • InChI Key： JQJBZTFNXNRCSN-IETCSCFGSA-N
    • SMILES： O1C(C2C(=C(C=CC=2[C@H]1[C@H]1C2C(=C3C(=CC=2CCN1C)OCO3)OC)OC)OC)=O.OC1C(C(=O)O)=CC2C=CC=CC=2C=1CC1=C(C(C(=O)O)=CC2C=CC=CC1=2)O

Computed Properties

  • Exact Mass: 801.24214030g/mol
  • Monoisotopic Mass: 801.24214030g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 8
  • Complexity: 1220
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 191?2

4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1) Related Literature

Related Categories

106611-48-7 (4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid) - (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one (1:1)) Related Products

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