1-{3-[di(2H3)methylamino]propyl}-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid, Citalopram-d6 Oxalate
HIT218701028
sdf文件结构编辑类似物检索
HIT ID: HIT218701028
Cas No:
分子式: C22H23FN2O5
分子量: 420.47
常用名: 1-{3-[di(2H3)methylamino]propyl}-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid, Citalopram-d6 Oxalate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-{3-[di(2H3)methylamino]propyl}-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile; oxalic acid
SMILES: OC(=O)C(O)=O.[2H]C([2H])([2H])N(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)C([2H])([2H])[2H]
InChI key: KTGRHKOEFSJQNS-TXHXQZCNSA-N
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