N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
基本情報
- CAS
185104-11-4- 標準SMILES
COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl- InChIKey
VQEKQYLTAIVCBW-UHFFFAOYSA-N- 分子式
- C21H31ClN4O5S
- 平均分子量
- 487 g/mol
- 単同位体質量
- 486.17036877
概要
See also: Acotiamide Hydrochloride (annotation moved to).
名称と識別子
- 優先名称
- N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
- IUPAC
- N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
- 英語名
- Acotiamide Hydrochloride
- 分子式
- C21H31ClN4O5S
- 分子量
- 487.01
名称と別名
Acotiamide HClAcotiamide (hydrochloride)N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochlorideZ338MFCD23103502N-(2-(diisopropylamino)ethyl)-2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxamide hydrochlorideAcotiamide dihydrochlorideCHEMBL5414074N-[2-(Diisopropylamino)ethyl]-2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxamide HydrochlorideN-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-hydroxy-4,5-dimethoxybenzamido)-1,3-thiazole-4-carboxamide hydrochlorideUNII-510791NN30Acotiamidehydrochloride
名称をさらに表示
Acotiamide-d6 HClAcotiamide hydrochlorideAcotiamide Impurity 20 HClAcotiamide Impurity 14 HClAcetylformamide hydrochlorideAcotiamide (hydrochloride) (Acotiamide Impurity)N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyN-[2-[Bisisopropylamino]-ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-4-thiazolecarboxamide HCl
物性
構造計算による物性
- 極性表面積
- 141 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 10
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 586
物理化学的性質
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- InChIKey
- VQEKQYLTAIVCBW-UHFFFAOYSA-N
- SMILES
- C(C1C(=CC(OC)=C(OC)C=1)O)(=O)NC1SC=C(C(=O)NCCN(C(C)C)C(C)C)N=1.Cl
化学と産業
応用分野
説明Acotiamide Hydrochloride (YM-443, Z-338) is the hydrochloride salt form of acotiamide, a prokinetic agent with gastrointestinal (GI) motility-enhancing activity. It is a new orally active selective acetylcholinesterase inhibitor. Although the exact mechanism by which acotiamide exerts its effect has yet to be fully elucidated, this agent appears to inhibit acetylcholinesterase (AchE), an enzyme responsible for the breakdown of acetylcholine (Ach). Increased Ach concentrations lead to an improvement of gastric emptying and GI motility and eventually to a reduction of dyspepsia symptoms.
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