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    Chemistry

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    Also known as: 69525-81-1, Morantel citrate salt, Morantel (citrate), Vc8z4ss5qx, 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[(e)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4h-pyrimidine, (e)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2-hydroxypropane-1,2,3-tricarboxylate
    Molecular Formula
    C18H24N2O7S
    Molecular Weight
    412.5  g/mol
    InChI Key
    OLOCXIJVDIVAHH-FXRZFVDSSA-N
    FDA UNII
    VC8Z4SS5QX
    Morantel Citrate
    1 2D Structure

    Morantel Citrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine
    2.1.2 InChI
    InChI=1S/C12H16N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b5-4+;
    2.1.3 InChI Key
    OLOCXIJVDIVAHH-FXRZFVDSSA-N
    2.1.4 Canonical SMILES
    CC1=C(SC=C1)C=CC2=NCCCN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    VC8Z4SS5QX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 69525-81-1

    2. Morantel Citrate Salt

    3. Morantel (citrate)

    4. Vc8z4ss5qx

    5. 2-hydroxypropane-1,2,3-tricarboxylic Acid;1-methyl-2-[(e)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4h-pyrimidine

    6. (e)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2-hydroxypropane-1,2,3-tricarboxylate

    7. Unii-vc8z4ss5qx

    8. Exhelm

    9. Einecs 274-028-9

    10. Exhelm (tn)

    11. Mls004712037

    12. Spectrum1503931

    13. Schembl2777336

    14. Chembl1330312

    15. Schembl22320735

    16. Hms502l08

    17. Dtxsid90219780

    18. Morantel Citrate [mart.]

    19. Hms1922m08

    20. Hms2093m11

    21. Pharmakon1600-01503931

    22. Ex-a1463

    23. Ccg-39377

    24. Nsc758647

    25. Akos024255719

    26. Hs-0101

    27. Ncgc00095083-01

    28. Ncgc00095083-02

    29. (e)-1,4,5,6-tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)pyrimidinediylium Hydrogen Citrate

    30. Ac-32489

    31. Smr003475008

    32. Hy-108387

    33. Cs-0028552

    34. D08231

    35. Sr-01000721901-2

    36. Q27291761

    2.4 Create Date
    2006-03-07
    3 Chemical and Physical Properties
    Molecular Weight 412.5 g/mol
    Molecular Formula C18H24N2O7S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area176
    Heavy Atom Count28
    Formal Charge0
    Complexity500
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    27-Jun-2023
    28-Aug-2023
    KGS
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