基本情報
- CAS
14641-96-4- 標準SMILES
CN1C2CCC1CC(OC(=O)[C@](C)(CO)c1ccccc1)C2.Cl- InChIKey
VAJSWYGXJIEKGX-QPOHYMPGSA-N- 分子式
- C18H26ClNO3
- 平均分子量
- 339.9 g/mol
- 単同位体質量
- 339.1601214
名称と識別子
- 優先名称
- Levomepate hydrochloride
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-methyl-2-phenylpropanoate;hydrochloride
名称と別名
Levomepate hydrochlorideLevomepate HCl(-)-alpha-Methylhyoscyamine hydrochloride14641-96-4Tropine (-)-alpha-methyltropate hydrochloride3-alpha-Tropanyl (-)-2-methyl-2-phenylhydracrylate hydrochlorideHydracrylic acid, (-)-2-methyl-2-phenyl-, 3-alpha-tropanyl ester, hydrochloride1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-2-methyl-2-phenylhydracrylate (ester), HCl(3(S)-endo)-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl alpha-(hydroxymethyl)-alpha-methylbenzeneacetate8-Methyl-8-azabicyclo(3.2.1)oct-3-yl alpha-(hydroxymethyl)-alpha-methylbenzeneacetate hydrochloride, (3(S)-endo)-Benzeneacetic acid, alpha-(hydroxymethyl)-alpha-methyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, (3(S)-endo)-RefChem:351146
名称をさらに表示
DTXSID609328338-Methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-methyl-2-phenylpropanoate--hydrogen chloride (1/1)8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-methyl-2-phenylpropanoate--hydrogen chloride (1/1)
データベース識別子
- CAS
14641-96-4- PubChem CID
- 64699
- DTXSID
DTXSID60932833
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
- 5
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 393
関連反応
0 件
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