Apixaban Impurity 4 (BMS-728626-01)

Basic Information

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CAS Number

1686149-74-5

Molecular Formula

C26H27N5O4

Molecular Weight

473.53 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

SMILES

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CC1CCC(=O)N(C1)c2ccc(cc2)N3CCc4c(n(nc4C(=O)N)c5ccc(cc5)OC)C3=O

InChI

InChI=1S/C26H27N5O4/c1-16-3-12-22(32)30(15-16)18-6-4-17(5-7-18)29-14-13-21-23(25(27)33)28-31(24(21)26(29)34)19-8-10-20(35-2)11-9-19/h4-11,16H,3,12-15H2,1-2H3,(H2,27,33)

InChIKey

NNYVHGAEKIMTND-UHFFFAOYSA-N

LogP

2.9456000000000016

Topological Polar Surface Area

110.76000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

808

Synonyms & References

English

1-(4-methoxyphenyl)-6-(4-(5-methyl-2-oxopiperidin-1-yl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
Apixaban impurit
1-(4-Methoxyphenyl)-6-[4-(5-methyl-2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyrid
1-(4-Methoxyphenyl)-6-[4-(5-methyl-2-oxopiperidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
1-(4-Methoxyphenyl)-6-[4-(5-methyl-2-oxo-1-piperidinyl)phenyl]-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[
5''''-Methyl-apixaban

MDL Number

MFCD27996061

FAQ

What regulatory guidelines apply to Apixaban Impurity 4 (CAS: 1686149-74-5)?

Apixaban Impurity 4 (CAS: 1686149-74-5) falls under the regulatory guidelines of the Chemicals in the Environment (Chemical Safety) Regulations. It is also subject to the REACH regulations for registration, evaluation, authorization, and restriction of chemicals. Additionally, the FDA and EPA have specific requirements for the handling and disposal of this impurity. Regulatory compliance is essential for ensuring safety and environmental protection.

Are there alternatives to Apixaban Impurity 4 (CAS: 1686149-74-5) in synthesis?

In synthesizing compounds similar to Apixaban Impurity 4 (CAS: 1686149-74-5), there are several alternatives such as other isomers or analogs. Common substitutes include different functional groups or structural modifications. For instance, using alternative reagents like different alkylating agents or adjusting reaction conditions can yield similar impurities with varying properties.

What is the market or research trend for Apixaban Impurity 4 (CAS: 1686149-74-5)?

The market and research trends for Apixaban Impurity 4 (CAS: 1686149-74-5) are closely tied to the development and regulatory status of Apixaban. As a key impurity in Apixaban production, research is focused on understanding its biological effects and potential environmental impact. Market trends show a growing interest in the purity and safety of pharmaceuticals, driving the need for precise control and characterization of such impurities.

How should waste containing Apixaban Impurity 4 (CAS: 1686149-74-5) be handled?

Waste containing Apixaban Impurity 4 (CAS: 1686149-74-5) should be managed according to environmental regulations. Proper collection and storage in designated containers are crucial. For disposal, consider incineration or professional waste disposal services. Environmental protection measures include minimizing exposure and ensuring that the waste is handled by trained professionals to prevent contamination and ensure compliance with local, national, and international environmental laws.