Allopurinol EP Impurity D (Allopurinol USP Related Compound D)

Basic Information

View in Editor

CAS Number

6994-25-8

Molecular Formula

C6H9N3O2

Molecular Weight

155.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Basic Physical Properties

Physical State

Solid

Melting Point

105-107 °C

Boiling Point

349.2°C at 760 mmHg

Density

1.3092 (rough estimate)

Flash Point

165℃

Refractive Index

1.6500 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

View in Editor

CCOC(=O)C1=C(NN=C1)N

InChI

InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)

InChIKey

YPXGHKWOJXQLQU-UHFFFAOYSA-N

LogP

0.16860000000000003

Topological Polar Surface Area

81.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

151

Safety Information

View Safety Information

GHS Hazard Pictograms

H317

H410

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NS00010231
SB21924
AB03454
W-206450
EN300-26145
SR-01000577330-1
BP-10088
A889866
BB 0256781
1H-Pyrazole-4-carboxylic acid, 3-amino-, ethyl ester
Allopurinol impurity D, European Pharmacopoeia (EP) Reference Standard
NSC-521580
A9244
ethyl 3-amino-pyrazole-4-carboxylate
Allopurinol Imp. D (EP); Allopurinol USP Related Compound D; Allopurinol USP RC D; Ethyl 5-Amino-1H-pyrazole-4-carboxylate; Allopurinol Related Compound D; Allopurinol Impurity D
ChemDiv2_008143
3-Amino-4-pyrazolecarboxylic Acid Ethyl Ester
InChI=1/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
3-Amino-4-carbethoxypyrazol
HMS2341C24
CL3441
HMS554K13
Ethyl 5-aminopyrazol-4-carboxylate
AM807136
CHEMBL507899
BB 0219112
Ethyl 3-imino-2,3-dihydro-1H-pyrazole-4-carboxylate
EU-0096157
EC 230-262-3
Pyrazole carboxylic ester 4
BDBM14781

MDL Number

MFCD00005238

Customs Code

29331990

FAQ

What is Allopurinol EP Impurity D (CAS: 6994-25-8)?

Allopurinol EP Impurity D, also known as Allopurinol USP Related Compound D, is a byproduct of the synthesis of allopurinol, a medication used to treat gout and hyperuricemia. It has a chemical formula of C13H13N3O2 and is characterized by its bitter taste and low solubility in water.

What are the main uses of Allopurinol EP Impurity D (CAS: 6994-25-8)?

Allopurinol EP Impurity D is primarily used as a research tool to monitor the purity of allopurinol products. It is also important in the pharmaceutical industry for quality control purposes, helping to ensure the purity and efficacy of allopurinol medications.

Is Allopurinol EP Impurity D (CAS: 6994-25-8) safe?

Allopurinol EP Impurity D is generally safe when handled with proper precautions. It is not intended for human consumption and should be kept away from children and pets. Proper protective measures include wearing gloves and eye protection during handling. Ingestion or inhalation should be avoided, and any accidental contact with skin or eyes should be washed off immediately with water.

How should Allopurinol EP Impurity D (CAS: 6994-25-8) be stored?

Allopurinol EP Impurity D should be stored in a tightly sealed container at room temperature, away from direct sunlight and moisture. It should be kept in a cool, dry place, preferably between 15°C and 25°C (59°F and 77°F). Avoiding exposure to high temperatures and humidity is crucial to maintain its stability and prevent degradation.