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    Chemistry

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    Also known as: 79416-27-6, Methyl 5-amino-4-oxopentanoate hydrochloride, 5-aminolevulinic acid methyl ester hydrochloride, Metvixia, Methyl aminolevulinate hcl, Methyl 5-aminolevulinate hydrochloride
    Molecular Formula
    C6H12ClNO3
    Molecular Weight
    181.62  g/mol
    InChI Key
    UJYSYPVQHFNBML-UHFFFAOYSA-N
    FDA UNII
    7S73606O1A
    Delta-Aminolevulinic Acid Methyl Ester
    1 2D Structure

    Delta-Aminolevulinic Acid Methyl Ester

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 5-amino-4-oxopentanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
    2.1.3 InChI Key
    UJYSYPVQHFNBML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)CCC(=O)CN.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    7S73606O1A
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 79416-27-6

    2. Methyl 5-amino-4-oxopentanoate Hydrochloride

    3. 5-aminolevulinic Acid Methyl Ester Hydrochloride

    4. Metvixia

    5. Methyl Aminolevulinate Hcl

    6. Methyl 5-aminolevulinate Hydrochloride

    7. Methyl Aminolevulinate (hydrochloride)

    8. Mfcd00012868

    9. P-1202

    10. Pentanoic Acid, 5-amino-4-oxo-, Methyl Ester, Hydrochloride

    11. 79416-27-6 (hcl Salt)

    12. 5-aminolevulinic Acid Methyl Ester, Hcl

    13. Methyl Aminolevulinate Hydrochloride [usan]

    14. Mls000028575

    15. Methyl 5-amino-4-oxo-pentanoate Hydrochloride

    16. 7s73606o1a

    17. Smr000058997

    18. Metvix Pdt

    19. Chebi:60641

    20. Methyl Aminolevulinate Hydrochloride (usan)

    21. Ncgc00018251-03

    22. Unii-7s73606o1a

    23. Metvixia (tn)

    24. Einecs 279-151-1

    25. 3-aminoacetylpropionic Acid Methyl Ester Hydrochloride

    26. Opera_id_978

    27. P 1212

    28. Dsstox_cid_25630

    29. Dsstox_rid_81012

    30. Dsstox_gsid_45630

    31. Schembl1177591

    32. Chembl1201093

    33. Dtxsid4045630

    34. Hy-a0169a

    35. Bcp08124

    36. Tox21_110849

    37. S5372

    38. Methyl O-aminolevulinate Hydrochloride

    39. Akos015845944

    40. Ac-5302

    41. Ccg-266438

    42. Cs-w009212

    43. Methyl Aminolevulinate Hcl [inci]

    44. Methylaminolevulinate Hydrochloride

    45. As-20128

    46. Sy023721

    47. Cas-79416-27-6

    48. Db-056363

    49. Ls-187769

    50. Methyl 5-amino-4-oxopentanoate Hcl

    51. Ft-0620022

    52. Methyl 5-amino-4-oxopentanoate;hydrochloride

    53. Methyl-5-aminolevulinate Hydrochloride

    54. Aminolevulinic Acid Methyl Ester Hydrochloride

    55. A-6150

    56. D04988

    57. Methyl Aminolevulinate Hydrochloride [mi]

    58. 416a276

    59. Delta-aminolevulinic Acid Methyl Ester Hydrochloride

    60. Methyl Aminolevulinate Hydrochloride [mart.]

    61. Methyl Aminolevulinate Hydrochloride [who-dd]

    62. 5-amino-4-oxopentanoic Acid Methyl Ester Hydrochloride

    63. 5-amino-4-oxovaleric Acid Methyl Ester Hydrochloride

    64. Q27128288

    65. Methyl Aminolevulinate Hydrochloride [orange Book]

    66. Methyl Delta-aminolevulinate Hydrochloride, >=98% (tlc)

    67. 5-amino-4-oxo-pentanoic Acid Methyl Ester Hydrochloride Salt

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 181.62 g/mol
    Molecular Formula C6H12ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass181.0505709 g/mol
    Monoisotopic Mass181.0505709 g/mol
    Topological Polar Surface Area69.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of acne vulgaris

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