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    Amotosalen hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Amotosalen hcl, 161262-45-9, S-59, Amotosalen (hydrochloride), 7h-furo(3,2-g)(1)benzopyran-7-one, 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-, hydrochloride, Amotosalen hydrochloride (usan)
    Molecular Formula
    C17H20ClNO4
    Molecular Weight
    337.8  g/mol
    InChI Key
    MHLAMQBABOJZQW-UHFFFAOYSA-N
    FDA UNII
    67B255SI5F
    Amotosalen Hydrochloride is the hydrochloride salt form of amotosalen, a synthetic psoralen and light-activated DNA, RNA crosslinking agent, with protective activity against pathogens such as bacteria, viruses, protozoa, and leukocytes. Prior to administration amotosalen is added to plasma and platelets, then in vivo the agent penetrates pathogens and targets DNA and RNA. Upon activation by ultraviolet A light, this agent is able to form interstrand DNA and RNA crosslinks and prevents replication. Inactivation of leukocytes can prevent graft versus host disease upon transfusion.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-aminoethoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H19NO4.ClH/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18;/h6-7H,4-5,8,18H2,1-3H3;1H
    2.1.3 InChI Key
    MHLAMQBABOJZQW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)COCCN)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    67B255SI5F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Amotosalen

    2.3.2 Depositor-Supplied Synonyms

    1. Amotosalen Hcl

    2. 161262-45-9

    3. S-59

    4. Amotosalen (hydrochloride)

    5. 7h-furo(3,2-g)(1)benzopyran-7-one, 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-, Hydrochloride

    6. Amotosalen Hydrochloride (usan)

    7. Amotosalen Hydrochloride [usan]

    8. 67b255si5f

    9. 3-(2-aminoethoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride

    10. 7h-furo[3,2-g][1]benzopyran-7-one, 3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-, Hydrochloride (1:1)

    11. Unii-67b255si5f

    12. Amotosalen Hydrochloride [usan:inn]

    13. S 59

    14. Schembl4197287

    15. Chembl2104450

    16. Dtxsid70167093

    17. Hy-107004a

    18. Amotosalen Hydrochloride [who-dd]

    19. Cs-0027098

    20. 161262-45-9 (hcl)

    21. D02924

    22. Q27264108

    23. 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-7h-furo(3,2-g)(1)benzopyran-7-one Hydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 337.8 g/mol
    Molecular Formula C17H20ClNO4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass337.1080858 g/mol
    Monoisotopic Mass337.1080858 g/mol
    Topological Polar Surface Area74.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity464
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Photosensitizing Agents

    Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms. (See all compounds classified as Photosensitizing Agents.)

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)