Allopurinol impurity A[别嘌呤醇杂质A]

CAS:27511-79-1

SKU: NCC.27511.79.1 分类:
保证安全结账

CAS Registry Number®

27511-79-1

CAS Name

3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)

Molecular Formula

C4H6N4O.1/2H2O4S

Compound Properties

  • Melting Point (1)

    222-225 °C

Source(s)

  • (1) Robins, Roland K.; Journal of the American Chemical Society, (1956), 78, 784-90, CAplus

Other Names and Identifiers

InChI

InChI=1S/C4H6N4O.H2O4S/c5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)

InChIKey

InChIKey=RHMSRJURIHDMNK-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)O.C(N)(=O)C=1C(N)=NNC1

Canonical SMILES

O=C(N)C1=CNN=C1N.O=S(=O)(O)O

Other Names for this Substance

  • 1H-Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1)
  • Pyrazole-4-carboxamide, 3-amino-, sulfate (2:1)
  • 3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)
  • 3-Amino-1H-pyrazole-4-carboxamide hemisulfate
  • 3-Amino-4-pyrazolecarboxamide hemisulfate salt

Deleted or Replaced CAS Registry Numbers

38758-59-7, 72915-02-7, 102587-13-3, 1429226-32-3

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