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    Arimoclomol Citrate

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Arimoclomol citrate [mi], 368860-21-3, Arimoclomol citrate [usan], Unii-q85ffy6179, Q85ffy6179, Orphazyme a/s
    Molecular Formula
    C20H28ClN3O10
    Molecular Weight
    505.9  g/mol
    InChI Key
    XSENLDLUMVYRET-BTQNPOSSSA-N
    FDA UNII
    Q85FFY6179
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;2-hydroxypropane-1,2,3-tricarboxylic acid
    2.1.2 InChI
    InChI=1S/C14H20ClN3O3.C6H8O7/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8-9,13,19H,1-3,6-7,10-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-;/m1./s1
    2.1.3 InChI Key
    XSENLDLUMVYRET-BTQNPOSSSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    Q85FFY6179
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Arimoclomol Citrate [mi]

    2. 368860-21-3

    3. Arimoclomol Citrate [usan]

    4. Unii-q85ffy6179

    5. Q85ffy6179

    6. Orphazyme A/s

    7. 3-pyridinecarboximidoyl Chloride, N-((2r)-2-hydroxy-3-(1-piperidinyl)propoxy)-, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    8. Arimoclomol Citrate (usan)

    9. N-[(2r)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl Chloride;2-hydroxypropane-1,2,3-tricarboxylic Acid

    10. N-((2r)-2-hydroxy-3-(1-piperidyl)propoxy)pyridine-3-carboximidoyl Chloride, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate

    11. N-[(2r)-2-hydroxy-3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl Chloride, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate

    12. Schembl2681096

    13. Da-61204

    14. Q27287107

    15. 855-142-3

    16. Arimoclomol Citrate; 3-pyridinecarboximidoyl Chloride, N-[(2r)-2-hydroxy-3-(1-piperidinyl)propoxy]-, 1-oxide, 2-hydroxy-1,2,3-propanetricarboxylate (1:1); 3-pyridinecarboximidoyl Chloride, N-[(2r)-2-hydroxy-3-(1-piperidinyl)propoxy]-, 1-oxide, 2-hydroxy-1,2,3-propanetricarbox

    2.3.2 Other Synonyms

    1. Arimoclomol

    2.4 Create Date
    2014-01-31
    3 Chemical and Physical Properties
    Molecular Weight 505.9 g/mol
    Molecular Formula C20H28ClN3O10
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area203
    Heavy Atom Count34
    Formal Charge0
    Complexity565
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of amyotrophic lateral sclerosis

    Treatment of amyotrophic lateral sclerosis, Treatment of sporadic inclusion body myositis

    Treatment of Niemann-Pick disease, type C