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    Also known as: 654084-41-0, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride, Schembl726793, Dtxsid80735767, Mfcd23135408, 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride
    Molecular Formula
    C14H21Cl2N3O2
    Molecular Weight
    334.2  g/mol
    InChI Key
    AGVUBESCBQMUAO-UHFFFAOYSA-N
    CAS 654084-41-0
    1 2D Structure

    CAS 654084-41-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-5-chloro-2-methoxy-N-(piperidin-4-ylmethyl)benzamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H20ClN3O2.ClH/c1-20-13-7-12(16)11(15)6-10(13)14(19)18-8-9-2-4-17-5-3-9;/h6-7,9,17H,2-5,8,16H2,1H3,(H,18,19);1H
    2.1.3 InChI Key
    AGVUBESCBQMUAO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C=C1C(=O)NCC2CCNCC2)Cl)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 654084-41-0

    2. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide;hydrochloride

    3. Schembl726793

    4. Dtxsid80735767

    5. Mfcd23135408

    6. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamidehydrochloride

    7. Akos016004342

    8. Ds-3741

    9. Cs-0150646

    10. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)-benzamide Hydrochloride

    11. 4-amino-5-chloro-2-methoxy-n-(piperidin-4-ylmethyl)benzamide Hcl

    12. 4-amino-5-chloro-2-methoxy-n-[(piperidin-4-yl)methyl]benzamide--hydrogen Chloride (1/1)

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 334.2 g/mol
    Molecular Formula C14H21Cl2N3O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass333.1010823 g/mol
    Monoisotopic Mass333.1010823 g/mol
    Topological Polar Surface Area76.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity324
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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