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136470-65-0

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Basic Information
CAS No.: 136470-65-0
Name: Banoxantrone dihydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 136470-65-0 (Banoxantrone dihydrochloride)
Formula: C22H28N4O6
Molecular Weight: 444.48
Synonyms: 9,10-Anthracenedione, 1,4-bis((2-(dimethyloxidoamino)ethyl)amino)-5,8-dihydroxy-;AQ 4N;9,10-Anthracenedione, 1,4-bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxy-, N,N-dioxide;1,4-Bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedione N,N-dioxide;2-[[4-[2-[Dimethyl(oxido)azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide;
PSA: 157.52000
LogP: 2.03320
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Specification

The Banoxantrone, with the CAS registry number 136470-65-0, is also known as 1,4-Bis((2-(dimethylamino)ethyl)amino)-5,8-dihydroxy-9,10-anthracenedione N,N-dioxide. This chemical's molecular formula is C22H28N4O6 and molecular weight is 444.48. What's more, its IUPAC name is 2-[[4-[2-[dimethyl(oxido)azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-N,N-dimethylethanamine oxide. 

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)O)[O-]
(2)InChI: InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3
(3)InChIKey: YZBAXVICWUUHGG-UHFFFAOYSA-N