Cas no 18203-11-7 ([1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl-)

[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl- structure
18203-11-7 structure
Product Name:[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl-
CAS No:18203-11-7
MF:C21H16NO5
MW:362.355445861816
CID:148221
PubChem ID:161243
Update Time:2025-04-19

[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl-
    • chelirubine
    • (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 5-methoxy-13-methyl-
    • 5-methoxy-13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium
    • 5-methoxy-13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium chloride
    • XQ9RQW6TBJ
    • NS00094619
    • [1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 5-methoxy-13-methyl-
    • 5-METHOXY-13-METHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDINIUM
    • SCHEMBL891378
    • UNII-XQ9RQW6TBJ
    • 15-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene
    • Q3667037
    • 5-methoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium
    • CHEBI:17031
    • BOCCONINE
    • C06327
    • 18203-11-7
    • DTXSID10171235
    • CHEMBL4751513
    • chelirubine chloride
    • Inchi： 1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1
    • InChI Key： RNSBFHHWMMKJAM-UHFFFAOYSA-N
    • SMILES： O1COC2=CC(=C3C(=C12)C=[N+](C)C1C2C=C4C(=CC=2C=CC=13)OCO4)OC

Computed Properties

  • Exact Mass: 380.9465
  • Monoisotopic Mass: 362.10284761g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 575
  • 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: 4.4
  • Topological Polar Surface Area: 50?2

Experimental Properties

  • PSA: 50.03

[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium,5-methoxy-13-methyl- Related Literature

Related Categories

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