Aspirin pubchem

Need quick access to Aspirin’s PubChem data? Find its detailed information directly at this link. This database provides a wealth of chemical properties, including molecular weight (180.16 g/mol), chemical structure, and various identifiers.

PubChem offers more than just basic details. Explore its extensive database for information on Aspirin’s biological activity, including targets, pathways, and related research publications. You’ll find extensive data on pharmacokinetics and pharmacodynamics, crucial aspects for understanding its therapeutic effects and potential side effects.

Remember to critically evaluate the data presented on PubChem. While a reliable source, it’s always best to consult peer-reviewed scientific literature for the most up-to-date and validated information regarding Aspirin’s usage and safety. The information provided serves as a starting point for further investigation.

Specifically, you can expect to find data on Aspirin’s solubility, melting point, and various spectroscopic properties within the PubChem entry. This information is valuable for researchers, students, and healthcare professionals alike.

Aspirin PubChem Data: A Deep Dive

Begin your exploration by directly accessing the Aspirin (acetylsalicylic acid) entry on PubChem. Its CID is 2244. This provides immediate access to a wealth of information.

Chemical Structure and Properties

PubChem offers a detailed 2D and 3D representation of the molecule. Analyze its molecular formula (C₉H₈O₄), molecular weight (180.16 g/mol), and other key physicochemical properties such as its melting point, boiling point, and solubility in different solvents. This data is invaluable for understanding Aspirin’s behavior in various environments.

• Examine the SMILES string: Use this for computational modeling and other applications requiring a concise chemical representation.
• Compare different identifiers: PubChem provides multiple identifiers beyond CID, including InChI and InChIKey, enabling seamless data integration across different databases and platforms.

Biological Activity and Related Information

Explore the biological activity section. This area shows Aspirin’s known targets and pathways. Pay close attention to:

1. Enzyme inhibition: Aspirin’s primary mechanism of action is its inhibition of cyclooxygenase (COX) enzymes. PubChem will list the COX isoforms it affects (COX-1 and COX-2) and associated data, including IC50 values when available.
2. Pharmacokinetic properties: Review information about absorption, distribution, metabolism, and excretion (ADME) of Aspirin. This is critical for understanding its therapeutic effects and potential side effects.
3. Toxicity data: Note any recorded toxicity data, including LD50 values in different species. This provides crucial information about its safety profile.

Related Compounds and Patents

Don’t overlook the “Similar Compounds” and “Patents” sections. These sections reveal structural analogs of Aspirin with similar or contrasting properties. This can be useful for drug discovery research and understanding the intellectual property landscape surrounding this widely used drug.

• Analyze structural similarities: Identify chemical features responsible for Aspirin’s biological activity by comparing it with similar compounds.
• Explore patents: Discover innovations and potential applications related to Aspirin and its derivatives. This gives insights into ongoing research and development efforts.

Chemical Structure and Properties as Detailed on PubChem

PubChem details aspirin’s structure as a simple aromatic carboxylic acid derivative. Its chemical formula is C₉H₈O₄, and it possesses a benzene ring substituted with an acetyl group and a carboxyl group. This precise arrangement dictates its pharmacological activity.

Molecular Weight and Related Properties

The molecular weight, calculated from the formula, is approximately 180.16 g/mol. This relatively low molecular weight contributes to its good absorption and distribution throughout the body. Its melting point is around 135 °C, a characteristic useful in pharmaceutical preparation and purity checks. The solubility in water is moderate, a detail relevant to its formulation and bioavailability.

Acidic Nature and pKa

Aspirin’s carboxyl group makes it a weak acid, with a pKa around 3.5. This means its ionization is pH-dependent, influencing its absorption and excretion. Understanding this property is critical for predicting its behavior in different environments within the body.

Biological Activity and Target Information from PubChem

PubChem provides a wealth of data on aspirin’s biological activity. Explore the “Bioactivity” section for detailed information on assays performed on aspirin, including target proteins and associated activity data, such as IC50 values. This allows for a targeted analysis of aspirin’s effects on specific biological processes.

Target Identification and Inhibition

Focusing on the “Target” section reveals aspirin’s primary mechanism of action: the inhibition of cyclooxygenase (COX) enzymes, specifically COX-1 and COX-2. PubChem links to relevant research articles and databases detailing the binding affinities and inhibition constants (K_i) of aspirin with these enzymes. This information is key to understanding aspirin’s anti-inflammatory and analgesic effects. Note that the relative inhibition of COX-1 and COX-2 contributes to the balance of therapeutic benefits and side effects.

Beyond COX Inhibition

While COX inhibition is central, PubChem may reveal additional targets or off-target effects for aspirin. Examining related pathways and associated proteins identified in the database might uncover less-studied interactions and potentially explain other observed pharmacological effects of aspirin. Cross-referencing with other databases can enhance this exploration. Remember to critically evaluate the data considering the study design and methodology of the referenced experiments.

Safety and Toxicity Data from PubChem: Understanding Aspirin’s Risks

PubChem provides valuable safety and toxicity information for aspirin. Reviewing this data reveals potential hazards requiring careful consideration.

Dosage: Exceeding the recommended dosage significantly increases the risk of adverse effects like gastrointestinal bleeding and tinnitus. PubChem’s data highlights the narrow therapeutic index of aspirin, emphasizing the importance of adhering to prescribed doses.

Gastrointestinal Issues: Aspirin can irritate the stomach lining, potentially causing nausea, heartburn, and ulcers. PubChem data supports this, linking aspirin use to increased incidence of gastrointestinal complications. Consider taking aspirin with food or using an enteric-coated formulation to mitigate this risk.

Allergic Reactions: While rare, severe allergic reactions, including anaphylaxis, are possible. PubChem data indicates these reactions are a serious, albeit uncommon, risk. Individuals with known aspirin allergies must strictly avoid its use.

Reye’s Syndrome: This serious condition affects children and adolescents recovering from viral infections. PubChem data cautions against administering aspirin to this population due to the increased risk of Reye’s Syndrome. Acetaminophen is the recommended alternative for fever and pain relief in these cases.

Drug Interactions: Aspirin interacts with various medications, including anticoagulants. PubChem’s data underscores the necessity of informing your physician about all medications you are taking before starting aspirin therapy, to avoid potentially dangerous interactions.

Pregnancy and Breastfeeding: Data from PubChem suggests caution is warranted during pregnancy and breastfeeding. Consult your doctor before using aspirin during these periods.

Monitoring: Regular monitoring for side effects is crucial, especially during prolonged use. Pay close attention to changes in your health and seek medical attention immediately if you experience any concerning symptoms.

Disclaimer: This information is for educational purposes only and does not substitute professional medical advice. Always consult your doctor before using aspirin or any medication.