Loratadine-d5
HIT212728594
sdf文件结构编辑类似物检索
HIT ID: HIT212728594
Cas No: 1020719-57-6
分子式: C22H23ClN2O2
分子量: 387.92
常用名: Loratadine-d5
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 4.5545793
IUPAC: ethyl 4-[13-chloro(5,6,7,9,9-2H5)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene]piperidine-1-carboxylate
IUPAC: ethyl 4-[13-chloro(5,6,7,9,9-2H5)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene]piperidine-1-carboxylate
SMILES: [2H]c1nc2c(c([2H])c1[2H])C([2H])([2H])[#6]-c1cc(Cl)ccc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]
SMILES: [2H]c1nc2c(c([2H])c1[2H])C([2H])([2H])[#6]-c1cc(Cl)ccc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]
InChI key: JCCNYMKQOSZNPW-XFHCPBGCSA-N
共显示2个结果
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