Name: Derquantel
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212038852
Cas No:187865-22-1
常用名:Derquantel
IUPAC:(1'R,3'S,7'S,8R,12'R)-12'-hydroxy-4,4,4',4',12',14'-hexamethyl-9,10-dihydro-4H-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecan]-13'-one
IUPAC:(1'R,3'S,7'S,8R,12'R)-12'-hydroxy-4,4,4',4',12',14'-hexamethyl-9,10-dihydro-4H-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecan]-13'-one
InChI key:DYVLXWPZFQQUIU-WGNDVSEMSA-N

分子式:C28H37N3O4
分子量:479.621
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.6629835
SMILES:CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(CNc6c5ccc5OC(C)(C)C=COc65)C[C@]14CN2CC[C@@]3(C)O |c:23,THB:30:29:5.6:1.2|
SMILES:CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(CNc6c5ccc5OC(C)(C)C=COc65)C[C@]14CN2CC[C@@]3(C)O |c:23,THB:30:29:5.6:1.2|

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