Apixaban Impurity 2 (BMS-724914-01)

Basic Information

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CAS Number

2187409-01-2

Molecular Formula

C25H28N6O4

Molecular Weight

476.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

Boiling Point

802.1±65.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

438.9±34.3 °C

Vapor Pressure

0.0±2.8 mmHg at 25°C

SMILES

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O=C1C2=C(C(C(N)=O)=NN2C3=CC=C(OC)C=C3)CCN1C4=CC=C(NCCCCC(N)=O)C=C4

InChI

InChI=1S/C25H28N6O4/c1-35-19-11-9-18(10-12-19)31-23-20(22(29-31)24(27)33)13-15-30(25(23)34)17-7-5-16(6-8-17)28-14-3-2-4-21(26)32/h5-12,28H,2-4,13-15H2,1H3,(H2,26,32)(H2,27,33)

InChIKey

OTKSZZJZOVQZCB-UHFFFAOYSA-N

LogP

2.2501999999999995

Topological Polar Surface Area

145.57000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 10

Complexity

750

Safety Information

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Hazard Statement

Synonyms & References

English

7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3- carboxamide
6-(4-((5-amino-5-oxopentyl)amino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
Apixaban Impurity 12
BCP33004
1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 6-[4-[(5-amino-5-oxopentyl)amino]phenyl]-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-
6-(4-(5-amino-5-oxopentylamino)phenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
6-[4-[(5-amino-5-oxopentyl)amino]phenyl]-1

FAQ

What is Apixaban Impurity 2 (CAS: 2187409-01-2)?

Apixaban Impurity 2 (CAS: 2187409-01-2) is an impurity derived from the synthesis of Apixaban, a direct oral anticoagulant used in the prevention of thromboembolic events. It is a white to off-white solid with a molecular weight of approximately 363.3 g/mol.

What are the main uses of Apixaban Impurity 2 (CAS: 2187409-01-2)?

Apixaban Impurity 2 (CAS: 2187409-01-2) is primarily used in quality control and impurity profiling for Apixaban, a direct oral anticoagulant. It helps in ensuring the purity and safety of Apixaban by identifying and quantifying impurities in the drug substance.

Is Apixaban Impurity 2 (CAS: 2187409-01-2) safe?

Apixaban Impurity 2 (CAS: 2187409-01-2) is considered safe when handled under proper laboratory conditions. It is important to follow standard safety protocols, including wearing appropriate personal protective equipment and ensuring proper ventilation. Avoid contact with skin and eyes.

How should Apixaban Impurity 2 (CAS: 2187409-01-2) be stored?

Apixaban Impurity 2 (CAS: 2187409-01-2) should be stored in a tightly sealed container in a cool, dark place. Maintain a temperature between 15°C and 25°C and avoid exposure to direct sunlight and high humidity. Store away from incompatible materials and ensure the container is well-labeled.