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    CAS 27511-79-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 27511-79-1, 1h-pyrazole-4-carboxamide, 3-amino-, sulfate (2:1), 3-amino-1h-pyrazole-4-carboxamide hemisulfate, 5-aminopyrazole-4-carboxamide hemisulphate, 3-amino-1h-pyrazole-4-carboxamide sulfate(2:1), 3-amino-4-pyrazolecarboxamide hemisulfate salt
    Molecular Formula
    C8H14N8O6S
    Molecular Weight
    350.32  g/mol
    InChI Key
    UMPKASYMNORSRO-UHFFFAOYSA-N
    FDA UNII
    6H5TH7QBY8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-amino-1H-pyrazole-4-carboxamide;sulfuric acid
    2.1.2 InChI
    InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
    2.1.3 InChI Key
    UMPKASYMNORSRO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6H5TH7QBY8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 27511-79-1

    2. 1h-pyrazole-4-carboxamide, 3-amino-, Sulfate (2:1)

    3. 3-amino-1h-pyrazole-4-carboxamide Hemisulfate

    4. 5-aminopyrazole-4-carboxamide Hemisulphate

    5. 3-amino-1h-pyrazole-4-carboxamide Sulfate(2:1)

    6. 3-amino-4-pyrazolecarboxamide Hemisulfate Salt

    7. 3-aminopyrazole-4-carboxamide Hemisulfate

    8. 3-amino-4-carbamoylpyrazole Hemisulfate

    9. 6h5th7qby8

    10. Mfcd00013093

    11. 3-amino-4-carboxamidopyrazole Hemisulfate

    12. 5-amino-1h-pyrazole-4-carboxamide Hemisulphate

    13. Einecs 248-503-6

    14. 3-aminopyrazole-4-carboxamide Hemisulphate

    15. Unii-6h5th7qby8

    16. Ec 248-503-6

    17. Allopurinol Related Compound A

    18. Dtxsid90181933

    19. Act01774

    20. Akos005258529

    21. Akos030504524

    22. Cs-w009403

    23. Sb10163

    24. 3-amino Pyrazole Carboxamide Hemisulfate

    25. Ac-16100

    26. As-15536

    27. Sy020966

    28. A5327

    29. Ft-0614907

    30. 511a791

    31. 3-amino-1h-pyrazole-4-carboxamide Sulfate (2:1)

    32. Pyrazole-4-carboxamide, 3-amino-, Sulfate (2:1)

    33. Allopurinol Related Compound A, United States Pharmacopeia (usp) Reference Standard

    34. Allopurinol Related Compound A, Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 350.32 g/mol
    Molecular Formula C8H14N8O6S
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count2
    Exact Mass350.07570137 g/mol
    Monoisotopic Mass350.07570137 g/mol
    Topological Polar Surface Area279 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3