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    Chemistry

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    Also known as: 140898-91-5, Hexyl 5-amino-4-oxopentanoate hydrochloride, 5-aminolevulinic acid hexyl ester hydrochloride, Hexaminolevulinate hcl, Cysview, Hexaminolevulinate (hydrochloride)
    Molecular Formula
    C11H22ClNO3
    Molecular Weight
    251.75  g/mol
    InChI Key
    LZYXPFZBAZTOCH-UHFFFAOYSA-N
    FDA UNII
    D4F329SL1O
    Aminolevulinic Acid Hexylester
    Hexaminolevulinate Hydrochloride is the hydrochloride salt form of hexaminolevulinate, a hexyl ester of the heme precursor 5-aminolevulinic acid (ALA) with potential photosensitizing activity. Hexaminolevulinate serves as a precursor of photoactive porphyrins (PAPs), particularly protoporphyrin IX (PpIX), which selectively accumulate in rapidly proliferating cells, such as those seen in tumor tissue. When exposed to blue light, PAPs are activated and emit red light thereby allowing tumor imaging.
    1 2D Structure

    Aminolevulinic Acid Hexylester

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    hexyl 5-amino-4-oxopentanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
    2.1.3 InChI Key
    LZYXPFZBAZTOCH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCOC(=O)CCC(=O)CN.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    D4F329SL1O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (14c)-hexaminolevulinate

    2. 5-alahe

    3. 5-aminolevulinic Acid Hexyl Ester

    4. Ala Hexyl Ester

    5. Aminolevulinic Acid Hexylester

    6. Hexa Ala

    7. Hexaminolevulinate

    8. Hexyl-aminolevulinate

    9. Hexylaminolevulinate

    2.3.2 Depositor-Supplied Synonyms

    1. 140898-91-5

    2. Hexyl 5-amino-4-oxopentanoate Hydrochloride

    3. 5-aminolevulinic Acid Hexyl Ester Hydrochloride

    4. Hexaminolevulinate Hcl

    5. Cysview

    6. Hexaminolevulinate (hydrochloride)

    7. P-1206

    8. Hexvix

    9. Hexaminolevulinate Hydrochloride [usan]

    10. D4f329sl1o

    11. Hexyl Aminolevulinate Hcl

    12. Pentanoic Acid, 5-amino-4-oxo-, Hexyl Ester, Hydrochloride

    13. P-1026

    14. Hexyl 5-aminolevulinate Hydrochloride

    15. Hexyl 5-amino-4-oxopentanoate Hydrochloride.

    16. Hexvisr

    17. Hexaminolevulinate Hydrochloride (usan)

    18. Hexyl 5-aminolevulinate Hydrochloride;p-1206;5-aminolevulinic Acid Hexyl Ester Hydrochloride

    19. Unii-d4f329sl1o

    20. Cysview Kit

    21. Cysview (tn)

    22. N-hexyl 5-aminolevulinate Hydrochloride

    23. Hexyl 5-amino-4-oxopentanoate,hydrochloride

    24. P 1206

    25. Schembl937621

    26. 5-amino-4-oxopentanoic Acid Hexyl Ester Hydrochloride

    27. Chembl1201785

    28. Dtxsid80161486

    29. Mfcd03695491

    30. Hexaminolevulinate Hcl [vandf]

    31. Am84373

    32. Cs-5206

    33. Hexyl Aminolevulinate Hcl [inci]

    34. Bs-30849

    35. Hy-16045

    36. Db-063352

    37. Hexyl 5-amino-4-oxopentanoate;hydrochloride

    38. Ft-0767765

    39. Hexaminolevulinate Hydrochloride [mi]

    40. A-6140

    41. A15966

    42. D04436

    43. D81726

    44. Hexaminolevulinate Hydrochloride [mart.]

    45. 5-aminolevulinicacidhexylesterhydrochloride

    46. Hexaminolevulinate Hydrochloride [who-dd]

    47. Hexaminolevulinate Hydrochloride, >=98% (hplc)

    48. 898a915

    49. Hexaminolevulinate Hydrochloride [orange Book]

    50. Q27276092

    51. Pentanoic Acid, 5-amino-4-oxo, Hexyl Ester, Hydrochloride

    52. 5-aminolevulinic Acid Hexyl Ester Hydrochloridehexyl 5-aminolevulinate Hydrochloride

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 251.75 g/mol
    Molecular Formula C11H22ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count10
    Exact Mass251.1288213 g/mol
    Monoisotopic Mass251.1288213 g/mol
    Topological Polar Surface Area69.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity192
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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