Cas no 149998-48-1 ([1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl-)

[1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl- structure
149998-48-1 structure
Product Name:[1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl-
CAS No:149998-48-1
MF:C20H16NO4
MW:334.345345497131
CID:169937
PubChem ID:177893
Update Time:2025-04-19

[1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl-
    • 2-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-1-ol
    • NK-109
    • Isofagaridine
    • 149998-48-1
    • C09430
    • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1(or 2)-hydroxy-2(or 1)-methoxy-12-methyl-
    • FAGARIDINE
    • Q27106596
    • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1- hydroxy-2-methoxy-12-methyl-
    • AC1L4312
    • SureCN108986
    • O-Demethylchelerythrine
    • CHEMBL305942
    • SCHEMBL108986
    • CHEBI:4967
    • 66804-20-4
    • NK-109-1
    • Inchi： 1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3/p+1
    • InChI Key： RSCIYYHIBVZXDI-UHFFFAOYSA-O
    • SMILES： O1COC2C1=CC1C(C=2)=CC=C2C3C=CC(=C(C=3C=[N+](C)C2=1)O)OC

Computed Properties

  • Exact Mass: 334.10793299g/mol
  • Monoisotopic Mass: 334.10793299g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 502
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 51.8?2

[1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl- Related Literature

149998-48-1 ([1,3]Benzodioxolo[5,6-c]phenanthridinium,1-hydroxy-2-methoxy-12-methyl-) Related Products

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