Apixaban Impurity 19

Basic Information

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CAS Number

503615-07-4

Molecular Formula

C22H22N4O4

Molecular Weight

406.44 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

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

347.9±31.5 °C

Solubility

Insuluble (2.2E-4 g/L) (25 ºC),

Refractive Index

1.656

SMILES

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O=C(C1=NN(C2=CC=C(OC)C=C2)C3=C1CCN(C4=CC=C(N)C=C4)C3=O)OCC

InChI

InChI=1S/C22H22N4O4/c1-3-30-22(28)19-18-12-13-25(15-6-4-14(23)5-7-15)21(27)20(18)26(24-19)16-8-10-17(29-2)11-9-16/h4-11H,3,12-13,23H2,1-2H3

InChIKey

UVAQGQOGOJLALA-UHFFFAOYSA-N

LogP

2.8427000000000016

Topological Polar Surface Area

99.68000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

616

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-(4-aminophenyl)-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-, ethyl ester
ethyl 1-(4-methoxyphenyl)-6-(4-aminophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyg
ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
Apixaban Impurity 11
UVAQGQOGOJLALA-UHFFFAOYSA-N
AK123366
AX8247544
X5909
ST24047119
ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-ca
ethyl 6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyr
CID 23635387
6-(4-Aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
ethyl-6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
ethyl 6-(4-aminoph
ethyl-6-(4-aminophenyl)-1-(4-
T56 BNN HNV&TJ BR DO1& DVO2 HR DZ
apixaban impurity 19
DS-6994
http:////www.amadischem.com/proen/491782/

MDL Number

MFCD18251628

Customs Code

FAQ

What are the physical and chemical properties of Apixaban Impurity 19 (CAS: 503615-07-4)?

Apixaban Impurity 19 (CAS: 503615-07-4) is a crystalline compound with a molecular weight of approximately 322.23 g/mol. It is sparingly soluble in water and ethanol. The impurity shows limited reactivity under normal conditions, making it stable in various environments. It is typically characterized by its melting point range and solubility in organic solvents.

How is Apixaban Impurity 19 (CAS: 503615-07-4) typically synthesized?

Apixaban Impurity 19 (CAS: 503615-07-4) is synthesized through a series of reaction steps involving organic transformations, including coupling reactions and acetylation. The synthesis typically requires the use of azeotropic drying and recrystallization techniques to purify the product. Yield and selectivity are crucial in this process, and common reagents include dichloromethane, acetic anhydride, and triethylamine.

What industries use Apixaban Impurity 19 (CAS: 503615-07-4)?

Apixaban Impurity 19 (CAS: 503615-07-4) is primarily used in the pharmaceutical industry, specifically in the development and quality control of apixaban, an anticoagulant drug. It is also relevant in the chemical research and development sector for studying impurity profiles and drug metabolism.

What precautions should be taken when handling Apixaban Impurity 19 (CAS: 503615-07-4)?

When handling Apixaban Impurity 19 (CAS: 503615-07-4), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be carried out in a well-ventilated fume hood to minimize inhalation risks. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) guidelines for proper disposal. Always consult the SDS for detailed safety information.