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    AC1NQZWJ

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    2D Structure
    Also known as: 185106-16-5, Acotiamide [inn], Unii-d42owk5383, N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide, Chembl2107723, Chebi:34523
    Molecular Formula
    C21H30N4O5S
    Molecular Weight
    450.6  g/mol
    InChI Key
    TWHZNAUBXFZMCA-UHFFFAOYSA-N
    FDA UNII
    D42OWK5383
    Acotiamide is a prokinetic agent with gastrointestinal (GI) motility-enhancing activity. 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.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
    2.1.2 InChI
    InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)
    2.1.3 InChI Key
    TWHZNAUBXFZMCA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    D42OWK5383
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acotiamide Hydrochloride

    2. N-(2-(diisopropylamino)ethyl)-2-((2-hydroxy-4,5-dimethoxybenzoyl)amino)-1,3-thiazole-4-carboxamide

    3. N-(n',n'-diisopropylaminoethyl)-(2-(2-hydroxy-4,5-dimethoxybenzoylamino)-1,3-thiazole-4-yl)carboxyamide

    4. Ym 443

    5. Ym-443

    6. Ym443 Cpd

    7. Z 338

    8. Z-338

    2.3.2 Depositor-Supplied Synonyms

    1. 185106-16-5

    2. Acotiamide [inn]

    3. Unii-d42owk5383

    4. N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

    5. Chembl2107723

    6. Chebi:34523

    7. Ym 443

    8. C14127

    9. D42owk5383

    10. Ac1nqzwj

    11. Acotiamide [mi]

    12. Acotiamide [who-dd]

    13. Schembl1043131

    14. Dtxsid40870163

    15. Hms3886o11

    16. Bcp21087

    17. Zinc2002237

    18. Mfcd00953661

    19. Mz-338

    20. S5075

    21. Akos025401963

    22. Ccg-269239

    23. Db12482

    24. Sb19646

    25. Ncgc00506872-01

    26. Ac-27642

    27. N-[2-(diisopropylamino)ethyl]-2-[(2-hydroxy-4,5-dimethoxy-benzoyl)amino]thiazole-4-carboxamide

    28. Hy-121467

    29. Cs-0082145

    30. Acotiamide; Mz-338; Unii-d42owk5383;

    31. F14756

    32. A899477

    33. Q4674598

    34. Ym443; Ym-443; Ym 443; Z338; Z-338; Z 338

    35. N-(2-(diisopropylamino)ethyl)-2-(2-hydroxy-4,5-dimethoxybenzamido)thiazole-4-carboxamide

    36. 4-thiazolecarboxamide, N-(2-(bis(1-methylethyl)amino)ethyl)-2-((2-hydroxy-4,5-dimethoxybenzoyl)amino)-

    37. N-(2-(bis(1-methylethyl)amino)ethyl)-2-((2-hydroxy-4,5-dimethoxybenzoyl)amino)thiazol-4-carboxamide

    38. N-(2-(bis(1-methylethyl)amino)ethyl)-2-((2-hydroxy-4,5-dimethoxybenzoyl)amino)thiazole-4-carboxamide

    39. N-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-hydroxy-4,5-dimethoxybenzamido)-1,3-thiazole-4-carboxamide

    2.4 Create Date
    2005-10-11
    3 Chemical and Physical Properties
    Molecular Weight 450.6 g/mol
    Molecular Formula C21H30N4O5S
    XLogP33.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count10
    Exact Mass450.19369124 g/mol
    Monoisotopic Mass450.19369124 g/mol
    Topological Polar Surface Area141 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity586
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of functional dyspepsia

    Treatment of functional dyspepsia

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Cholinesterase Inhibitors

    Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system. (See all compounds classified as Cholinesterase Inhibitors.)

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)