Cas no 71751-77-4 (Meleagrin)

Meleagrin structure
Meleagrin structure
Product Name:Meleagrin
CAS No:71751-77-4
MF:C23H23N5O4
MW:433.459824800491
CID:569628
PubChem ID:23728435
Update Time:2025-04-19

Meleagrin Chemical and Physical Properties

Names and Identifiers

    • 1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione,7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-,(3E,7aR,12aS)-
    • 1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione,7a-(1,1-dimethyl-2-propen-1-yl)-7a,1...
    • 1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione,7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imida
    • Meleagrin
    • [3E,7aR,12aS,(-)]-7a-(1,1-Dimethyl-2-propenyl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazole-4-ylmethylene)-12-methoxy-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2(3H),5-dione
    • 8,9-dehydroneoxaline
    • Meleagrine
    • CID 6437857
    • 6-O-Methyloxaline, Meleagrine
    • 1H,5H-Imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propen-1-yl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-, (3E,7aR,12aS)-
    • (7AR,12aS,E)-3-((1H-imidazol-5-yl)methylene)-6-hydroxy-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydroimidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(1H,3H)-dione
    • 1H,5H-IMIDAZO(1',2':1,2)PYRIDO(2,3-B)INDOLE-2,5(3H)-DIONE, 7A-(1,1-DIMETHYL-2-PROPEN-1-YL)-7A,12-DIHYDRO-6-HYDROXY-3-(1H-IMIDAZOL-5-YLMETHYLENE)-12-METHOXY-, (3E,7AR,12AS)-
    • MELEAGRIN, (-)-
    • AKOS027307612
    • BCP14992
    • UNII-5780K492K3
    • ACon0_001256
    • BM162737
    • Q63409166
    • DTXSID80891812
    • MEGxm0_000097
    • BDBM50558000
    • ACon1_001373
    • ACon1_001969
    • NS00018327
    • HY-N6797
    • (3E,7AR,12AS)-7A-(1,1-DIMETHYL-2-PROPEN-1-YL)-7A,12-DIHYDRO-6-HYDROXY-3-(1H-IMIDAZOL-5-YLMETHYLENE)-12-METHOXY-1H,5H-IMIDAZO(1',2':1,2)PYRIDO(2,3-B)INDOLE-2,5(3H)-DIONE
    • CHEMBL4746496
    • 1H,5H-Imidazo(1',2':1,2)pyrido(2,3-b)indole-2,5(3H)-dione, 7a-(1,1-dimethyl-2-propenyl)-7a,12-dihydro-6-hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-, (7aR-(3E,7aR*,12aS*))-
    • MEGxm0_000075
    • CS-0100053
    • (1S,9R,14E)-11-Hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
    • 5780K492K3
    • 71751-77-4
    • 6-O-DEMETHYLOXALINE
    • (7aR,12aS,E)-3-((1H-imidazol-5-yl)methylene)-6-hydroxy-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
    • ACon0_001257
    • G13514
    • (1S,9R,14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo(7.7.0.01,13.03,8)hexadeca-3,5,7,10-tetraene-12,15-dione
    • DTXCID401031050
    • DA-65326
    • Inchi： 1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1
    • InChI Key： JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
    • SMILES： O(C)N1C2C=CC=CC=2[C@@]2(C=C(C(N3/C(=C/C4=CN=CN4)/C(N[C@]132)=O)=O)O)C(C=C)(C)C

Computed Properties

  • Exact Mass: 433.17500
  • Monoisotopic Mass: 433.17500423 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 929
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 111
  • Molecular Weight: 433.5

Experimental Properties

  • Color/Form: Not available
  • Density: 1.47
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • Refractive Index: 1.717
  • Solubility: Soluble in DMSO (up to 10 mg/ml)
  • PSA: 110.79000
  • LogP: 2.68160
  • Solubility: Not available
  • Vapor Pressure: No data available

Meleagrin Security Information

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