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20566-69-2 | Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-
CAS No: 20566-69-2 Catalog No: AG002A9G MDL No:
Product Description
Catalog Number:
AG002A9G
Chemical Name:
Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-
CAS Number:
20566-69-2
Molecular Formula:
C20H18N3+
Molecular Weight:
300.3770
IUPAC Name:
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine
InChI:
InChI=1S/C20H17N3/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13/h2-12,22H,21H2,1H3/p+1
InChI Key:
MRYUEHRAIMRPNB-UHFFFAOYSA-O
SMILES:
Nc1ccc2c(c1)c(c1ccccc1)[n+](c1c2ccc(c1)N)C
EC Number:
258-088-3
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.15g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.385g/mol
Monoisotopic Mass:
300.15g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| The killing of African trypanosomes by ethidium bromide. | PLoS pathogens 20101201 |
| Allosteric inhibitors of hepatitis C virus NS5B polymerase thumb domain site II: structure-based design and synthesis of new templates. | Bioorganic & medicinal chemistry 20100415 |
| [Creutzfeldt-Jakob disease, Heidenhain variant: case report with MRI (DWI) findings]. | Arquivos de neuro-psiquiatria 20040601 |
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