Name: Alcaftadine carboxylic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212711349
Cas No:147083-93-0
常用名:Alcaftadine carboxylic acid
IUPAC:2-(1-methylpiperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3,5,10,12-pentaene-6-carboxylic acid
IUPAC:2-(1-methylpiperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3,5,10,12-pentaene-6-carboxylic acid
InChI key:HGWYFQCFNPVJKM-UHFFFAOYSA-N

分子式:C19H21N3O2
分子量:323.396
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:-0.51801646
SMILES:[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ncc(-[#6](-[#8])=O)n2-[#6]-[#6]-c2ccccc-12
SMILES:[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ncc(-[#6](-[#8])=O)n2-[#6]-[#6]-c2ccccc-12

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