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    Cisapride Monohydrate

    ACTIVE PHARMA INGREDIENTS

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,926Xls

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    2D Structure
    Also known as: Cisapride monohydrate, 260779-88-2, Propulsid, Acenalin, Vzv0a4i38w, Cisapride hydrate
    Molecular Formula
    C23H31ClFN3O5
    Molecular Weight
    484.0  g/mol
    InChI Key
    QBYYXIDJOFZORM-LBPAWUGGSA-N
    FDA UNII
    VZV0A4I38W
    A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
    2.1.2 InChI
    InChI=1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29);1H2/t20-,22+;/m1./s1
    2.1.3 InChI Key
    QBYYXIDJOFZORM-LBPAWUGGSA-N
    2.1.4 Canonical SMILES
    COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
    2.1.5 Isomeric SMILES
    CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
    2.2 Other Identifiers
    2.2.1 UNII
    VZV0A4I38W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cisapride

    2. Propulsid

    3. R 51619

    4. R-51619

    5. R51619

    2.3.2 Depositor-Supplied Synonyms

    1. Cisapride Monohydrate

    2. 260779-88-2

    3. Propulsid

    4. Acenalin

    5. Vzv0a4i38w

    6. Cisapride Hydrate

    7. Risamol

    8. Propulsin

    9. Alimix

    10. Benzamide, 4-amino-5-chloro-n-((3r,4s)-1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, Hydrate (1:1), Rel-

    11. Benzamide, 4-amino-5-chloro-n-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, Cis Monohydrate

    12. 4-amino-5-chloro-n-[(3s,4r)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate

    13. Benzamide, 4-amino-5-chloro-n-[(3r,4s)-1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxy-, Hydrate (1:1), Rel-

    14. Smr000449272

    15. Unii-vzv0a4i38w

    16. R-51619

    17. Cisapride (monohydrate)

    18. Cpd000449272

    19. Cisapride [mart.]

    20. Cisapride Hydrate (1:1)

    21. Mls000758247

    22. Mls001423985

    23. Schembl467064

    24. Chembl1546244

    25. Dtxsid60948954

    26. Cisapride Monohydrate [mi]

    27. Hms2051g13

    28. (r,s)-cisapride Monohydrate

    29. Hy-14149a

    30. Cisapride Monohydrate [who-dd]

    31. Ccg-100794

    32. Nc00044

    33. Q27292115

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 484.0 g/mol
    Molecular Formula C23H31ClFN3O5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass483.1936270 g/mol
    Monoisotopic Mass483.1936270 g/mol
    Topological Polar Surface Area87 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity581
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Ulcer Agents

    Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief. (See all compounds classified as Anti-Ulcer Agents.)

    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.)

    Serotonin Receptor Agonists

    Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)