Argatroban Impurity 4

Basic Information

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CAS Number

153886-68-1

Molecular Formula

C10H13NO3S

Molecular Weight

227.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

Boiling Point

SMILES

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CC1CNc2c(C1)cccc2S(=O)(=O)O

InChI

InChI=1S/C10H13NO3S/c1-7-5-8-3-2-4-9(15(12,13)14)10(8)11-6-7/h2-4,7,11H,5-6H2,1H3,(H,12,13,14)

InChIKey

HDGVSYYMMRPVBX-UHFFFAOYSA-N

LogP

1.5374

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

322

Safety Information

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Hazard Statement

Synonyms & References

English

3-methyl-1,2-dihydroquinoline-8-sulfonic aci
Argatroban impurity 4
3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonic acid
8-Quinolinesulfonic acid, 1,2,3,4-tetrahydro-3-methyl-
3-methyl-1,2,3,4-tetrahydroquinolin-8-sulphonic acid

MDL Number

MFCD28676743

FAQ

What are the physical and chemical properties of Argatroban Impurity 4 (CAS: 153886-68-1)?

Argatroban Impurity 4 (CAS: 153886-68-1) is a crystalline compound with a molecular weight of approximately 407.24 g/mol. It is slightly soluble in water and has a low solubility in organic solvents. This impurity is reactive towards acidic and basic conditions. It is important to handle it under appropriate conditions to avoid degradation.

How is Argatroban Impurity 4 (CAS: 153886-68-1) typically synthesized?

Argatroban Impurity 4 is typically synthesized through a multi-step process involving amidation and acylation reactions. The synthesis involves the use of specific catalysts and solvents to achieve high selectivity and yield. The exact conditions and reagents vary depending on the specific methodology used.

What industries use Argatroban Impurity 4 (CAS: 153886-68-1)?

Argatroban Impurity 4 (CAS: 153886-68-1) is primarily used in the pharmaceutical industry. It is a key intermediate in the synthesis of Argatroban, an anticoagulant drug. It is also used in research for studying blood coagulation mechanisms and in the development of new pharmaceuticals.

What precautions should be taken when handling Argatroban Impurity 4 (CAS: 153886-68-1)?

When handling Argatroban Impurity 4 (CAS: 153886-68-1), it is essential to use appropriate personal protective equipment (PPE), such as gloves and goggles. Work should be conducted in a well-ventilated area or fume hood. Accidental spills should be cleaned up according to standard procedures, and an SDS (Safety Data Sheet) should always be referenced for specific handling guidelines.