Name: Banoxantrone-d12 dihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212670986
Cas No:1562066-98-1
常用名:Banoxantrone-d12 dihydrochloride
常用名:Banoxantrone-d12 dihydrochloride
别名:AQ4N D12 dihydrochloride
IUPAC:2-{[4-({2-[di(2H3)methyl-oxo-$l^{5}-azanyl]ethyl}amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-di(2H3)methylethanamine oxide dihydrochloride
IUPAC:2-{[4-({2-[di(2H3)methyl-oxo-$l^{5}-azanyl]ethyl}amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-di(2H3)methylethanamine oxide dihydrochloride
InChI key:SBWCPHUXRZRTDP-BHITWGRESA-N

分子式:C22H30Cl2N4O6
分子量:529.48
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:1.6456704
SMILES:Cl.Cl.[2H]C([2H])([2H])N(=O)(CCNc1ccc(NCCN(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c2C(=O)c3c(O)ccc(O)c3C(=O)c12)C([2H])([2H])[2H]
SMILES:Cl.Cl.[2H]C([2H])([2H])N(=O)(CCNc1ccc(NCCN(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c2C(=O)c3c(O)ccc(O)c3C(=O)c12)C([2H])([2H])[2H]

Banoxantrone D12 (AQ4N D12) dihydrochloride is the deuterium-labeled Banoxantrone. Banoxantrone is a bioreductive agent that can be reduced to a stable, DNA-affinity compound AQ4, which is a topoisomerase II inhibitor.

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