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145361-83-7 | Benz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-, 2-oxide, (2Z)-2-butenedioate (1:2) (9CI)
CAS No: 145361-83-7 Catalog No: AG001KUF MDL No:
Product Description
Catalog Number:
AG001KUF
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6,9-bis[(2-aminoethyl)amino]-, 2-oxide, (2Z)-2-butenedioate (1:2) (9CI)
CAS Number:
145361-83-7
IUPAC Name:
6,9-bis(2-aminoethylimino)-2,5-dihydroxybenzo[g]isoquinolin-10-one;but-2-enedioic acid
InChI:
InChI=1S/C17H19N5O3.2C4H4O4/c18-4-6-20-12-1-2-13(21-7-5-19)15-14(12)16(23)10-3-8-22(25)9-11(10)17(15)24;2*5-3(6)1-2-4(7)8/h1-3,8-9,23,25H,4-7,18-19H2;2*1-2H,(H,5,6)(H,7,8)
InChI Key:
NTSICATZJDHTKI-UHFFFAOYSA-N
Properties
Complexity:
946
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.171g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
573.515g/mol
Monoisotopic Mass:
573.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
287A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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