基本情報
- CAS
76811-96-6- 標準SMILES
CCOC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl- InChIKey
XAGIKTXVRKZQRW-UHFFFAOYSA-N- 分子式
- C34H42ClNO4
- 平均分子量
- 564.2 g/mol
- 単同位体質量
- 563.2802365
名称と識別子
- 優先名称
- Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochloride
- IUPAC
- ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate;hydrochloride
- 現地名
- α,α-ジメチル-4-[4-[4-(α-ヒドロキシ-α-フェニルベンジル)ピペリジノ]ブチリル]ベンゼン酢酸エチル
- 英語名
- Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochloride
- 分子式
- C34H42ClNO4
- 分子量
- 564.15
名称と別名
76811-96-6Ethyl 4-{4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl}-alpha,alpha-dimethylbenzeneacetate hydrochlorideethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate;hydrochlorideethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]butanoyl]phenyl]-2-methyl-propanoate hydrochlorideethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate hydrochlorideC34H42ClNO44-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochloride4-[4-[4-(Hydroxydiphenylmethyl]-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, ethyl ester hydrochlorideethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochlorideethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate, hydrochloride
物性
構造計算による物性
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 12
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 748
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関連反応
35 件
化合物ノート
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