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145047-56-9 | Benz[g]isoquinoline-5,10-dione, 6,9-bis[[2-(dimethylamino)ethyl]amino]-, 2-oxide
CAS No: 145047-56-9 Catalog No: AG001KHU MDL No:
Product Description
Catalog Number:
AG001KHU
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6,9-bis[[2-(dimethylamino)ethyl]amino]-, 2-oxide
CAS Number:
145047-56-9
Molecular Formula:
C21H27N5O3
Molecular Weight:
397.4708
IUPAC Name:
6,9-bis[2-(dimethylamino)ethylimino]-2,5-dihydroxybenzo[g]isoquinolin-10-one
InChI:
InChI=1S/C21H27N5O3/c1-24(2)11-8-22-16-5-6-17(23-9-12-25(3)4)19-18(16)20(27)14-7-10-26(29)13-15(14)21(19)28/h5-7,10,13,27,29H,8-9,11-12H2,1-4H3
InChI Key:
ZDBDBUCDQWBJOE-UHFFFAOYSA-N
SMILES:
CN(CCNc1ccc(c2c1C(=O)c1c(C2=O)c[n+](cc1)[O-])NCCN(C)C)C
Properties
Complexity:
917
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.479g/mol
Monoisotopic Mass:
397.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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