基本情報
- 標準SMILES
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl.O- InChIKey
WIEAKZDWJQYIEJ-UHFFFAOYSA-N- 分子式
- C32H42ClNO5
- 平均分子量
- 556.1 g/mol
名称と識別子
- 優先名称
- 4-[(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate
- IUPAC
- 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrate;hydrochloride
名称と別名
4-[4-(4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrateSCHEMBL48729WIEAKZDWJQYIEJ-UHFFFAOYSA-N4-[(4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4- (Hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-,-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl) -1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-,-dimethylbenzeneacetic acid hydrochloride hydrate4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride hydrate
データベース識別子
- PubChem CID
- 11613748
物性
構造計算による物性
- 極性表面積
- 82 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 6
- 回転可能結合数
- 10
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 678
関連反応
61 件
化合物ノート
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