1-Amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulfophenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid

Base Information

• Chemical Name: 1-Amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulfophenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid
• CAS No.: 55329-51-6
• Molecular Formula: C22H19N3O8S2
• DSSTox Substance ID: DTXSID501110364

Synonyms:SCHEMBL8631126;DTXSID501110364;1-Amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulfophenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid;55329-51-6

Chemical Property of 1-Amino-9,10-dihydro-4-[[4-[(methylamino)methyl]-2-sulfophenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid

Chemical Property:

• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 517.06135692
• Heavy Atom Count: 35
• Complexity: 1040

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• Canonical SMILES: CNCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

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