Cas no 918659-56-0 (Chaetominine)

Chaetominine structure
Chaetominine structure
Product Name:Chaetominine
CAS No:918659-56-0
MF:C22H18N4O4
MW:402.402724742889
CID:823057
PubChem ID:16095273
Update Time:2025-09-20

Chaetominine Chemical and Physical Properties

Names and Identifiers

    • Chaetominine
    • AKOS027461132
    • (2S,2a1S,4R,5aS)-5a-hydroxy-2-methyl-4-(4-oxoquinazolin-3(4H)-yl)-2a1,4,5,5a-tetrahydro-1H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione
    • CHEBI:65610
    • NSC746369
    • HY-125136
    • (2S,4R,5as,9cs)-4,5,5a,9c-tetrahydro-5a-hydroxy-2-methyl-4-(4-oxo-3(4h)-quinazolinyl)-3h-2a,9b-diazacyclopenta(jk)fluorene-1,3(2h)-d ione
    • CS-0089447
    • chaetomimine
    • Q27134076
    • 918659-56-0
    • (2S,4R,5aS,9cS)-5a-hydroxy-2-methyl-4-(4-oxoquinazolin-3(4H)-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione
    • DTXSID80582495
    • (-)-Chaetominine
    • J-501045
    • (1S,10S,13R,15S)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione
    • NSC-746369
    • (1S,10S,13R,15S)-1-hydroxy-10-methyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo(6.6.1.02,7.011,15)pentadeca-2,4,6-triene-9,12-dione
    • DTXCID80533260
    • DA-51813
    • (2S,4R,5aS,9cS)-5a-Hydroxy-2-methyl-4-(4-oxoquinazolin-3(4H)-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta(jk)fluorene-1,3(2H)-dione
    • Inchi: 1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(30)10-17(20(29)25(12)21(22)26)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
    • InChI Key: GEURDGODABUDHB-TYTLQBBQSA-N
    • SMILES: O[C@]12C3C=CC=CC=3N3C([C@H](C)N(C([C@@H](C1)N1C=NC4C=CC=CC=4C1=O)=O)[C@@H]32)=O

Computed Properties

  • Exact Mass: 402.13280507g/mol
  • Monoisotopic Mass: 402.13280507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 1
  • Complexity: 845
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 93.5?2

Experimental Properties

  • Density: 1.63
  • Melting Point: 164℃

Chaetominine Pricemore >>

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