Name: Banoxantrone (D12)
Rating: 5 (10 reviews)

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HIT ID:HIT212670985
Cas No:1562067-05-3
常用名:Banoxantrone (D12)
别名:Banoxantrone D12, AQ4N D12
IUPAC:2-{[4-({2-[di(2H3)methyl-oxo-$l^{5}-azanyl]ethyl}amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-di(2H3)methylethanamine oxide
IUPAC:2-{[4-({2-[di(2H3)methyl-oxo-$l^{5}-azanyl]ethyl}amino)-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-di(2H3)methylethanamine oxide
InChI key:YZBAXVICWUUHGG-MGKWXGLJSA-N

分子式:C22H28N4O6
分子量:456.561
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:1.6456704
SMILES:[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:[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) is the deuterium-labeled form of Banoxantrone, a bioreductive agent that can be metabolically converted to AQ4, a stable compound with DNA affinity and topoisomerase II inhibition properties.

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