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    Amifostine Trihydrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,502Xls

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    2D Structure
    Also known as: 112901-68-5, Anifostine trihydrate, 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate, 112901-68-5 (trihydrate), M487qf2f4v, Nsc 296961
    Molecular Formula
    C5H21N2O6PS
    Molecular Weight
    268.27  g/mol
    InChI Key
    TXQPXJKRNHJWAX-UHFFFAOYSA-N
    FDA UNII
    M487QF2F4V
    A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-aminopropylamino)ethylsulfanylphosphonic acid;trihydrate
    2.1.2 InChI
    InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2
    2.1.3 InChI Key
    TXQPXJKRNHJWAX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CN)CNCCSP(=O)(O)O.O.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    M487QF2F4V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Amifostine

    2. Amifostine Anhydrous

    3. Amifostine Disodium Salt

    4. Amifostine Monohydrate

    5. Amifostine Monohydrochloride

    6. Aminopropyl Aminoethylthiophosphate

    7. Aminopropylaminoethylthiophosphate

    8. Aminopropylaminoethylthiophosphoric Acid

    9. Apaetp

    10. Ethanethiol, 2-((3-aminopropyl)amino)-, Dihydrogen Phosphate (ester), Trihydrate

    11. Ethiofos

    12. Ethiofos Anhydrous

    13. Ethyol

    14. Gammaphos

    15. Nsc 296961

    16. Nsc-296961

    17. Nsc296961

    18. S-(n-(3-aminopropyl)-2-aminoethyl)thiophosphoric Acid

    19. Wr 2721

    20. Wr-2721

    21. Wr2721

    22. Ym 08310

    23. Ym-08310

    24. Ym08310

    2.3.2 Depositor-Supplied Synonyms

    1. 112901-68-5

    2. Anifostine Trihydrate

    3. 2-(3-aminopropylamino)ethylsulfanylphosphonic Acid Trihydrate

    4. 112901-68-5 (trihydrate)

    5. M487qf2f4v

    6. Nsc 296961

    7. S-(2-((3-aminopropyl)amino)ethyl) O,o-dihydrogen Phosphorothioate Trihydrate

    8. S-(2-((3-aminopropyl)amino)ethyl) Dihydrogen Phosphorothioate, Trihydrate

    9. Ethanethiol, 2-((3-aminopropyl)amino)-, Dihydrogen Phosphate (ester), Trihydrate

    10. 2-(3-aminopropylamino)ethylsulfanylphosphonic Acid;trihydrate

    11. Wr-2721 Trihydrate

    12. Unii-m487qf2f4v

    13. Amifostine (usp)

    14. Wr-2721

    15. Ethyol Trihydrate

    16. Amifostine [usan:usp:inn:ban]

    17. Amifostinetrihydrate

    18. Amifostine [usan]

    19. Ethyol (tn)

    20. Amifostine [vandf]

    21. Amifostine [mart.]

    22. Amifostine [usp-rs]

    23. Amifostinetrihydrateormonohydrate

    24. Amifostine [orange Book]

    25. Dtxsid40150210

    26. Amifostine [usp Monograph]

    27. Amifostine Trihydrate [mi]

    28. Hms3866g03

    29. S4298

    30. Akos015901630

    31. Amifostine Trihydrate [who-dd]

    32. Ac-6800

    33. Ccg-267130

    34. Ft-0622271

    35. Amifostine Trihydrate, >=97% (tlc), Powder

    36. A14238

    37. D00226

    38. F21492

    39. 901a685

    40. J-002869

    41. Q47495771

    42. Amifostine, United States Pharmacopeia (usp) Reference Standard

    43. Aminopropylamino)ethylsulfanylphosphonic Acid Trihydrate

    44. Ethanethiol, 2-[(3-aminopropyl)amino]-, Dihydrogen Phosphate (ester),trihydrate

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 268.27 g/mol
    Molecular Formula C5H21N2O6PS
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass268.08579457 g/mol
    Monoisotopic Mass268.08579457 g/mol
    Topological Polar Surface Area124 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity152
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Radiation-Protective Agents

    Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military. (See all compounds classified as Radiation-Protective Agents.)