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Home > Pyridines > 129722-91-4
129722-91-4 | 8H-Benzo[b]pyrido[4,3,2-de][1,7]phenanthroline-8,12(13H)-dione (9CI)
CAS No: 129722-91-4 Catalog No: AG000TMB MDL No:
Product Description
Catalog Number:
AG000TMB
Chemical Name:
8H-Benzo[b]pyrido[4,3,2-de][1,7]phenanthroline-8,12(13H)-dione (9CI)
CAS Number:
129722-91-4
Molecular Formula:
C18H9N3O2
Molecular Weight:
299.2830
IUPAC Name:
6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),4,9,11,13(21),14,16,18-nonaene-3,8-dione
InChI:
InChI=1S/C18H9N3O2/c22-12-6-8-20-17-14(12)15-13-10(5-7-19-16(13)18(17)23)9-3-1-2-4-11(9)21-15/h1-8H,(H,20,22)
InChI Key:
QSJNAFJALFWFMT-UHFFFAOYSA-N
SMILES:
O=C1C=CN=c2c1c1[nH]c3ccccc3c3c1c(c2=O)ncc3
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.069g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.289g/mol
Monoisotopic Mass:
299.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro antitumor activity of ring C and D-substituted phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine. | Bioorganic & medicinal chemistry 20040801 |
| Synthesis and in vitro antitumor activity of phenanthrolin-7-one derivatives, analogues of the marine pyridoacridine alkaloids ascididemin and meridine: structure-activity relationship. | Journal of medicinal chemistry 20030731 |
| A C-ring regioisomer of the marine alkaloid meridine exhibits selective in vitro cytotoxicity for solid tumours. | Bioorganic & medicinal chemistry 20010701 |
| Antifungal activity of meridine, a natural product from the marine sponge Corticium sp. | Journal of natural products 19921101 |
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