Cas no 114253-63-3 (Benzo[c]phenanthridin-6(5H)-one,2,3,8,9-tetramethoxy-5-methyl-)

Benzo[c]phenanthridin-6(5H)-one,2,3,8,9-tetramethoxy-5-methyl- structure
114253-63-3 structure
Product Name:Benzo[c]phenanthridin-6(5H)-one,2,3,8,9-tetramethoxy-5-methyl-
CAS No:114253-63-3
MF:C22H21NO5
MW:379.405846357346
CID:141907
PubChem ID:3087373
Update Time:2025-04-19

Benzo[c]phenanthridin-6(5H)-one,2,3,8,9-tetramethoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzo[c]phenanthridin-6(5H)-one,2,3,8,9-tetramethoxy-5-methyl-
    • 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-6-one
    • 5-methyl-6-oxo-2,3,8,9-tetra-methoxy-5,6-dihydrobenzo[c]phenanthridine
    • O-Methyl-6-oxofagaronine
    • 4-21-00-06741 (Beilstein Handbook Reference)
    • Benzo(c)phenanthridin-6(5H)-one, 5-methyl-2,3,8,9-tetramethoxy-
    • DTXSID50150685
    • 114253-63-3
    • BRN 0343650
    • Inchi: 1S/C22H21NO5/c1-23-21-13(7-6-12-8-17(25-2)18(26-3)9-14(12)21)15-10-19(27-4)20(28-5)11-16(15)22(23)24/h6-11H,1-5H3
    • InChI Key: AIDLXPSMRVKBCD-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C(C(=CC=2C2C=CC3C=C(C(=CC=3C=2N1C)OC)OC)OC)OC

Computed Properties

  • Exact Mass: 379.14203
  • Monoisotopic Mass: 379.14197277g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 571
  • 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: 3.8
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • PSA: 57.23
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