loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Trimetrexate Glucuronate, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Trimetrexate Glucuronate

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Ci 898 dihydrochloride, Trimetrexate d-glucuronate, 82952-64-5, Trimetrexate glucuronate [usan], L137u4a79k, Nsc-352122
    Molecular Formula
    C25H33N5O10
    Molecular Weight
    563.6  g/mol
    InChI Key
    ZCJXQWYMBJYJNB-LRDBBFHQSA-N
    FDA UNII
    L137U4A79K
    Trimetrexate Glucuronate is a lipid soluble methotrexate derivative with potential antineoplastic activity. Trimetrexate glucuronate inhibits the enzyme dihydrofolate reductase, thereby preventing the synthesis of purine nucleotides and thymidylate, with subsequent inhibition of DNA and RNA synthesis. Trimetrexate glucuronate also exhibits antiviral activity. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
    2.1.2 InChI
    InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)/t;2-,3+,4-,5-/m.0/s1
    2.1.3 InChI Key
    ZCJXQWYMBJYJNB-LRDBBFHQSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    L137U4A79K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Neutrexin

    2. Nsc 352122

    3. Nsc-352122

    4. Trimetrexate Glucuronic Acid Combination

    2.3.2 Depositor-Supplied Synonyms

    1. Ci 898 Dihydrochloride

    2. Trimetrexate D-glucuronate

    3. 82952-64-5

    4. Trimetrexate Glucuronate [usan]

    5. L137u4a79k

    6. Nsc-352122

    7. 2,4-diamino-5-methyl-6-((3,4,5-trimethoxyanilino)methyl)quinazoline Mono-d-glucuronate

    8. 2,4-quinazolinediamine, 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-, Mono-d-glucuronate

    9. D-glucuronic Acid, Compd. With 5-methyl-6-(((3,4,5-trimethoxyphenyl)amino)methyl)-2,4-quinazolinediamine (1:1)

    10. Trimetrexate Glucuronate (usan)

    11. Neutrexin (tn)

    12. Drg-0183

    13. Nsc 352122

    14. Schembl3635

    15. Unii-l137u4a79k

    16. Dtxsid90273968

    17. Trimetrexate D-glucuronate [mi]

    18. 6-(((3,4,5-trimethoxyphenyl)amino)methyl)-5-methyl-2,4-quinazolinediamine Glucuronate

    19. Trimetrexate Glucuronate [mart.]

    20. Trimetrexate Glucuronate [vandf]

    21. Trimetrexate Glucuronate [who-dd]

    22. Hy-103396

    23. Cs-0027819

    24. Trimetrexate Glucuronate [orange Book]

    25. D06239

    26. Q27282570

    27. 5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2s,3s,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 563.6 g/mol
    Molecular Formula C25H33N5O10
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count11
    Exact Mass563.22274227 g/mol
    Monoisotopic Mass563.22274227 g/mol
    Topological Polar Surface Area253 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity648
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    Post Enquiry
    POST ENQUIRY