基本情報
- CAS
18031-11-3- 標準SMILES
CC(=O)Oc1ccc(CC(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)cc1.Cl- InChIKey
PDPWTGAGBGEUJL-UHFFFAOYSA-N- 分子式
- C25H30ClNO4
- 平均分子量
- 444 g/mol
- 単同位体質量
- 443.1863361
名称と識別子
- 優先名称
- 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3-(4-(acetyloxy)phenyl)-2-phenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-acetyloxyphenyl)-2-phenylpropanoate;hydrochloride
名称と別名
DTXSID409393208-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3-(4-(acetyloxy)phenyl)-2-phenylpropanoate--hydrogen chloride (1/1)8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-[4-(acetyloxy)phenyl]-2-phenylpropanoate--hydrogen chloride (1/1)RefChem:1074753DTXCID201367821Tropafen18031-11-34241-47-8PTFKTropaphen hydrochlorideTropodifene hydrochlorideTropodifene HCl
名称をさらに表示
tropafen hydrochlorideTropine ether of beta-(n-acetoxyphenyl)-alpha-phenylpropionic acid hydrochloridePseudotropine ether of beta-(n-acetoxyphenyl)-alpha-phenylpropionic acid hydrochloride1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 3-(p-hydroxyphenyl)-2-phenylpropionate (ester), acetate(ester), hydrochloride1-alpha-H,5-alpha-H-Tropan-3-beta-ol, 3-(p-hydroxyphenyl)-2-phenylpropionate (ester), acetate (ester), hydrochlorideSCHEMBL29689132Propionic acid, 3-(p-hydroxyphenyl)-2-phenyl-, 3-tropanyl ester, acetate, hydrochloride(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-acetyloxyphenyl)-2-phenylpropanoate;hydrochloride
データベース識別子
- CAS
18031-11-3、4241-47-8- PubChem CID
- 199479
- DTXSID
DTXSID40939320
物性
構造計算による物性
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 580
関連反応
0 件
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