基本情報
- CAS
129927-33-9- 標準SMILES
CCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl- InChIKey
JQCLFZVNMLALLU-UHFFFAOYSA-N- 分子式
- C24H36ClNO3
- 平均分子量
- 422 g/mol
- 単同位体質量
- 421.2383717
名称と識別子
- 優先名称
- Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride (1:1)
- IUPAC
- [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
名称と別名
Temiverine hydrochloride129927-33-924II7HX270RefChem:1078335Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride (1:1)136529-33-4(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2 -phenylacetate HCl H2O[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride5-(Diethylamino)-2-methylpent-3-yn-2-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochlorideTemiverine HClCCRIS 7921UNII-24II7HX270
名称をさらに表示
129927-33-9 (HCl)(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate HCl H2O(+-)-4-Diethylamino-1,1-dimethylbut-2-yn-1-yl-2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrateBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (4-diethylamino)-1,1-dimethyl-2-buteynyl ester, hydrochlorideSCHEMBL332032orb1708387DTXSID90926528HY-U00055
データベース識別子
- CAS
129927-33-9
物性
構造計算による物性
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 557
関連反応
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