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113844-56-7 | Acridinium, 3-amino-10-methyl-9-[[4-[[4-[(1-methylpyridinium-4-yl)amino]benzoyl]amino]phenyl]amino]-
CAS No: 113844-56-7 Catalog No: AG0009UZ MDL No:
Product Description
Catalog Number:
AG0009UZ
Chemical Name:
Acridinium, 3-amino-10-methyl-9-[[4-[[4-[(1-methylpyridinium-4-yl)amino]benzoyl]amino]phenyl]amino]-
CAS Number:
113844-56-7
Molecular Formula:
C33H30N6O++
Molecular Weight:
526.6309
IUPAC Name:
N-[4-[(3-amino-10-methylacridin-10-ium-9-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide
InChI:
InChI=1S/C33H28N6O/c1-38-19-17-27(18-20-38)35-24-10-7-22(8-11-24)33(40)37-26-14-12-25(13-15-26)36-32-28-5-3-4-6-30(28)39(2)31-21-23(34)9-16-29(31)32/h3-21H,1-2H3,(H3,34,36,37,40)/p+2
InChI Key:
QUSKQYORRKZTMK-UHFFFAOYSA-P
SMILES:
C[n+]1ccc(cc1)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1c2ccccc2[n+](c2c1ccc(c2)N)C
Properties
Complexity:
816
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.248g/mol
Formal Charge:
2
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
526.644g/mol
Monoisotopic Mass:
526.248g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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