N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;hydrochloride
Grundinformationen
- CAS
185104-11-4- Standard-SMILES
COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl- InChIKey
VQEKQYLTAIVCBW-UHFFFAOYSA-N- Summenformel
- C21H31ClN4O5S
- Durchschnittliche Molmasse
- 487 g/mol
- Monoisotopische Masse
- 486,17036877
Überblick
See also: Acotiamide Hydrochloride (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- Acotiamide Hydrochloride
- Summenformel
- C21H31ClN4O5S
- Molmasse
- 487.01
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 141 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 586
Physikochemische Eigenschaften
- storage temp.
- -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
Chemie und Industrie
Anwendungen
BeschreibungAcotiamide 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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