Allopurinol EP Impurity B

Basic Information

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CAS Number

22407-20-1

Molecular Formula

C5H6N4O2

Molecular Weight

154.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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O=C(C1=CNN=C1NC=O)N

InChI

InChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10)

InChIKey

MKVXRGIJTKYXPR-UHFFFAOYSA-N

LogP

-0.9231000000000003

Topological Polar Surface Area

100.86999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Synonyms & References

English

3-(Formylamino)-1H-pyrazole-4-carboxamide
3-(Formylamino)-1H-pyrazole-4-carboxamide 5-(Formylamino)-1H-pyrazole-4-carboxamide
5-Formamido-1H-pyrazole-4-carboxamide
Allopurinol impurity B
Allopurinol Related CoMpound B
5-(Formylamino)-1H-pyrazole-4-carboxamide
5-formamido-1H-pyrazole-4-carboxamide

MDL Number

MFCD21363438

FAQ

What are the physical and chemical properties of Allopurinol EP Impurity B (CAS: 22407-20-1)?

Allopurinol EP Impurity B (CAS: 22407-20-1) is a yellow crystalline solid with a molecular weight of approximately 214.23 g/mol. It is slightly soluble in water and has limited solubility in ethanol. This impurity is known for its low reactivity under normal conditions but can undergo degradation upon exposure to heat or strong oxidizing agents. It is typically used in the pharmaceutical industry as a by-product in the synthesis of allopurinol.

How is Allopurinol EP Impurity B (CAS: 22407-20-1) typically synthesized?

Allopurinol EP Impurity B (CAS: 22407-20-1) is typically synthesized as a by-product during the production of allopurinol. The synthesis involves the condensation of 6-mercaptopurine with isouramil, followed by an acetylation step. The process requires careful control of temperature and pH to achieve high selectivity and yield. Catalysts such as acetic anhydride are commonly used for the acetylation step.

What industries use Allopurinol EP Impurity B (CAS: 22407-20-1)?

Allopurinol EP Impurity B (CAS: 22407-20-1) is primarily used in the pharmaceutical industry. It is a by-product in the manufacturing of allopurinol, a drug used for treating gout and hyperuricemia. While not used directly in applications outside the pharmaceutical sector, it is crucial for the quality control and production processes of allopurinol.

What precautions should be taken when handling Allopurinol EP Impurity B (CAS: 22407-20-1)?

When handling Allopurinol EP Impurity B (CAS: 22407-20-1), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. If a spill occurs, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.