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    Chemistry

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    Also known as: 1421-65-4, L-3,4-dihydroxyphenylalanine methyl ester hydrochloride, Melevodopa hydrochloride, Methyl l-dopa hydrochloride, L-dopa methyl ester hydrochloride, Levodopa methyl ester hydrochloride
    Molecular Formula
    C10H14ClNO4
    Molecular Weight
    247.67  g/mol
    InChI Key
    WFGNJLMSYIJWII-FJXQXJEOSA-N
    FDA UNII
    JFU1A8866V
    CAS 1421-65-4
    1 2D Structure

    CAS 1421-65-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1
    2.1.3 InChI Key
    WFGNJLMSYIJWII-FJXQXJEOSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(CC1=CC(=C(C=C1)O)O)N.Cl
    2.1.5 Isomeric SMILES
    COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    JFU1A8866V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dl-dopa Methyl Ester

    2. Dopa Methyl Ester, (d)-isomer

    3. L-dopa Methyl Ester

    4. Levodopa Methyl Ester

    5. Levodopa Methyl Ester Hydrochloride

    6. Levodopa Methyl Ester Hydrochloride, (dl)-isomer

    7. Melevodopa

    8. Methyl L-dopa

    2.3.2 Depositor-Supplied Synonyms

    1. 1421-65-4

    2. L-3,4-dihydroxyphenylalanine Methyl Ester Hydrochloride

    3. Melevodopa Hydrochloride

    4. Methyl L-dopa Hydrochloride

    5. L-dopa Methyl Ester Hydrochloride

    6. Levodopa Methyl Ester Hydrochloride

    7. L-tyrosine, 3-hydroxy-, Methyl Ester, Hydrochloride

    8. L-dopa Me Ester Hydrochloride

    9. L-tyrosine, 3-hydroxy-, Methyl Ester, Hydrochloride (1:1)

    10. Mfcd00038958

    11. Alanine, 3-(3,4-dihydroxyphenyl)-, Methyl Ester, Hydrochloride, L-

    12. St 41769

    13. St-41769

    14. Jfu1a8866v

    15. 3,4-dihydroxyphenyl-l-alanine Methyl Ester Hydrochloride

    16. Methyl L-3-(3,4-dihydroxyphenyl)alaninate Hydrochloride

    17. Ncgc00093792-01

    18. Alanine, 3-(3,4-dihydroxyphenyl)-, Methyl Ester, Hydrochloride

    19. L-3,4-dihydroxyphenylalanine Methyl Ester Hcl

    20. Dsstox_cid_25763

    21. Dsstox_rid_81105

    22. Dsstox_gsid_45763

    23. 3,4-dihydroxy-l-phenylalanine Methyl Ester Hydrochloride

    24. Methyl (2s)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride

    25. Cas-1421-65-4

    26. Unii-jfu1a8866v

    27. Nsc-295453

    28. Mls002153271

    29. Schembl453411

    30. Chembl1255756

    31. Dtxsid4045763

    32. Act09358

    33. Amy31294

    34. Tox21_111221

    35. Tox21_500356

    36. H-phe{3,4-(oh)2}-ome.hcl

    37. L-dopa Methyl Ester (hydrochloride)

    38. Akos015912904

    39. Tox21_111221_1

    40. Ccg-221660

    41. Cs-w012679

    42. Lp00356

    43. Nsc 295453

    44. Ncgc00162132-03

    45. Ncgc00261041-01

    46. As-10467

    47. Smr001230709

    48. Eu-0100356

    49. D 1507

    50. I10411

    51. L-3,4-dihydroxyphenylalanine Benzyl Ester

    52. Sr-01000075804

    53. J-007612

    54. Sr-01000075804-1

    55. Q27281493

    56. 3-(3,4-dihydroxyphenyl)-l-alanine Methyl Ester Hydrochloride

    57. L-3,4-dihydroxyphenylalanine Methyl Ester Hydrochloride, Solid

    58. Methyl (s)-2-amino-3-(3,4-dihydroxyphenyl)propanoate Hydrochloride

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 247.67 g/mol
    Molecular Formula C10H14ClNO4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass247.0611356 g/mol
    Monoisotopic Mass247.0611356 g/mol
    Topological Polar Surface Area92.8 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity222
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Antiparkinson Agents

    Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists. (See all compounds classified as Antiparkinson Agents.)

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