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    Chemistry

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    Also known as: 59338-87-3, Limican, 41bt72boq7, Plitican, Nausilen, 6-methoxy-n-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-1h-1,2,3-benzotriazole-5-carboxamide hydrochloride
    Molecular Formula
    C16H22ClN5O2
    Molecular Weight
    351.8  g/mol
    InChI Key
    BRECEDGYMYXGNF-UHFFFAOYSA-N
    FDA UNII
    41BT72BOQ7
    Alizapride Hydrochloride
    1 2D Structure

    Alizapride Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H
    2.1.3 InChI Key
    BRECEDGYMYXGNF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=NNN=C2C=C1C(=O)NCC3CCCN3CC=C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    41BT72BOQ7
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alizapride

    2. Alizapride Hydrochloride

    3. Litican

    4. Ms 5080

    5. Ms-5080

    6. N-((1-allyl-2-pyrrolidinyl)methyl)-6-methoxy-1h-benzotriazole-5-carboxamide

    7. N-((allyl-1-pyrrolidinyl-2)-methyl)methoxy-2-azimido-4,5-benzamide

    8. N-(1-allyl-2-pyrrolidinylmethyl)-6-methoxy-1h-benzotriazole-5-carboxamide Hydrochloride

    9. Plitican

    2.3.2 Depositor-Supplied Synonyms

    1. 59338-87-3

    2. Limican

    3. 41bt72boq7

    4. Plitican

    5. Nausilen

    6. 6-methoxy-n-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-1h-1,2,3-benzotriazole-5-carboxamide Hydrochloride

    7. Pliyivsn

    8. Alizaprid Hydrochlorid

    9. Unii-41bt72boq7

    10. Hy-a0125a

    11. Dtxsid20974759

    12. Alizapride Hydrochloride [mi]

    13. Ac-6819

    14. Alizapride Hydrochloride [mart.]

    15. Alizapride Hydrochloride [who-dd]

    16. Cs-0019741

    17. Q27258431

    18. N-(1-allyl-2-pyrrolidinylmethyl)-6-methoxy-1h-benzotriazole-5-carboxamide Hydrochloride

    19. (+/-)-n-(1-allyl-2-pyrrolidinylmethyl)-6-methoxy-1h-benzotriazole-5-carboxamide Hydrochloride

    20. 1h-benzotriazole-5-carboxamide, 6-methoxy-n-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-, Monohydrochloride

    21. 1h-benzotriazole-5-carboxamide,6-methoxy-n-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]-, Monohydrochloride

    22. 5-methoxy-n-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-1h-benzotriazole-6-carboximidic Acid--hydrogen Chloride (1/1)

    23. 6-methoxy-n-((1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)-1h-benzotriazole-5-carboxamide Hydrochloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 351.8 g/mol
    Molecular Formula C16H22ClN5O2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass351.1462027 g/mol
    Monoisotopic Mass351.1462027 g/mol
    Topological Polar Surface Area83.1 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity433
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiemetics

    Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)

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