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    CAS 518048-03-8

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    CAS 518048-03-8
    Also known as: 518048-03-8, 2-(2-aminopropan-2-yl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Raltegravir amine, 2-(2-aminopropan-2-yl)-n-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide, 5u1a5s652k, 2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox
    Molecular Formula
    C16H19FN4O3
    Molecular Weight
    334.35  g/mol
    InChI Key
    AQLZTHZLYFFVIJ-UHFFFAOYSA-N
    FDA UNII
    5U1A5S652K
    1 2D Structure

    CAS 518048-03-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
    2.1.2 InChI
    InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)
    2.1.3 InChI Key
    AQLZTHZLYFFVIJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    5U1A5S652K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 518048-03-8

    2. 2-(2-aminopropan-2-yl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

    3. Raltegravir Amine

    4. 2-(2-aminopropan-2-yl)-n-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

    5. 5u1a5s652k

    6. 2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox

    7. 2-(2-aminopropan-2-yl)-n-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

    8. 2-(1-amino-1-methyl-ethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic Acid 4-fluoro-benzylamide

    9. Des(5-methyl-1,3,4-oxadiazole-2-carbonyl)raltegravir

    10. 4-pyrimidinecarboxamide, 2-(1-amino-1-methylethyl)-n-((4-fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-

    11. 2-(2-aminopropan-2-yl)-n-((4-fluorophenyl)methyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

    12. Unii-5u1a5s652k

    13. Schembl1151004

    14. Ammd00036

    15. Dtxsid50716265

    16. Bcp11621

    17. Mfcd10698741

    18. Zb1810

    19. Zinc21299550

    20. Akos015899148

    21. Ac-1805

    22. Am85799

    23. Cs-w000543

    24. Ds-1539

    25. Sb57948

    26. 2-(2-aminopropan-2-yl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihy Dropyrimidine-4-carboxami

    27. 2-(2-aminopropan-2-yl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxami

    28. Ft-0661911

    29. Raltegravir Impurity A [ep Impurity]

    30. 048a038

    31. A852177

    32. J-505521

    33. Raltegravir Potassium Impurity A [ep Impurity]

    34. Raltegravir Impurity, Raltegravir Amine [usp Impurity]

    35. 2-(1-amino-1-methyl-ethyl)-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic Acid 4-fluoro-benzylamide

    36. 2-(1-amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine4-carboxamide

    37. 2-(2-amino-2-propyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 334.35 g/mol
    Molecular Formula C16H19FN4O3
    XLogP30.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass334.14411864 g/mol
    Monoisotopic Mass334.14411864 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity592
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                            Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
                            Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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