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12217-43-5 | 9,10-Anthracenedione, 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]-
CAS No: 12217-43-5 Catalog No: AG0016VO MDL No:
Product Description
Catalog Number:
AG0016VO
Chemical Name:
9,10-Anthracenedione, 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]-
CAS Number:
12217-43-5
Molecular Formula:
C23H21N3O2
Molecular Weight:
371.4317
IUPAC Name:
1-amino-4-[4-[(dimethylamino)methyl]anilino]anthracene-9,10-dione
InChI:
InChI=1S/C23H21N3O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3
InChI Key:
IVFRHOQHKQWEHJ-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N)C
EC Number:
235-398-7
UNII:
8G3UK6793U
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.163g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.44g/mol
Monoisotopic Mass:
371.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Anti-human cytomegalovirus activity and toxicity of sulfonated anthraquinones and anthraquinone derivatives. | Antiviral research 19951201 |
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