Banoxantrone dihydrochloride
HIT212670987
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HIT ID: HIT212670987
Cas No: 252979-56-9
分子式: C22H30Cl2N4O6
分子量: 517.4
常用名: Banoxantrone dihydrochloride
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 1.6456704
IUPAC: 2-[(4-{[2-(dimethyl-oxo-$l^{5}-azanyl)ethyl]amino}-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-N,N-dimethylethanamine oxide dihydrochloride
IUPAC: 2-[(4-{[2-(dimethyl-oxo-$l^{5}-azanyl)ethyl]amino}-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-N,N-dimethylethanamine oxide dihydrochloride
SMILES: Cl.Cl.C[N+](C)([O-])CCNc1ccc(NCC[N+](C)(C)[O-])c2C(=O)c3c(O)ccc(O)c3C(=O)c12
SMILES: Cl.Cl.C[N+](C)([O-])CCNc1ccc(NCC[N+](C)(C)[O-])c2C(=O)c3c(O)ccc(O)c3C(=O)c12
InChI key: SBWCPHUXRZRTDP-UHFFFAOYSA-N
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