Aspirin - Compound Summary (CID: 2244)
The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)
  Table of Contents
 Drug and Chemical Information: (Total:1)
Anti-Inflammatory Agents, Non-Steroidal
- Anti-inflammatory agents that are not steroids. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They are used primarily in the treatment of chronic arthritic conditions and certain soft tissue disorders associated with pain and inflammation. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. Certain NSAIDs also may inhibit lipoxygenase enzymes or TYPE C PHOSPHOLIPASES or may modulate T-cell function. (AMA Drug Evaluations Annual, 1994, p 1814-5)  | Fibrinolytic Agents
- Fibrinolysin or agents that convert plasminogen to fibrinolysin (PLASMIN). | Platelet Aggregation Inhibitors
- Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and ... Platelet Aggregation Inhibitors
- Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. | Cyclooxygenase Inhibitors
- Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme ... Cyclooxygenase Inhibitors
- Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes. |
Pharmacological Classification Chemical ClassificationSafety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | NIOSH ICSC - NIOSH International Chemical Safety Cards | NJ-HSFS - New Jersey Material Data Safety Sheets | CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests | EINECS - European Inventory of Existing Commercial Chemical Substances | GENETOX - Genetic toxicology information | Haz-Map - Occupational toxicology information | TOXLINE - Citations to the toxicological literature | LactMed - Information on chemicals that breastfeeding mothers may be exposed | ClinicalTrials.gov - Registry of federal and private clinical trials | NTP DBS - Toxicological assay results |
 Literature Choose by Subheadings:
Literature Keyword Mining Tool
 BioActivity Results:
Tested in BioAssays: All: 238 Active: 2 Inactive: 227
BioActivity Summary: This Compound with Similar Compounds
AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database
AID: 1030 Source: NCGC
Concentration-Response Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1)
AID: 1490 Source: NCGC
qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase)
AID: 1487 Source: NCGC
qHTS Assay for Modulators of Lamin A Splicing
|
more ...
 Properties Computed from Structure:
| Molecular Weight | 180.15742 [g/mol] | | Molecular Formula | C9H8O4 | | XLogP | 1.4 | | H-Bond Donor | 1 | | H-Bond Acceptor | 4 | | Rotatable Bond Count | 3 | | Exact Mass | 180.042259 | | MonoIsotopic Mass | 180.042259 | | Topological Polar Surface Area | 63.6 | | Heavy Atom Count | 13 | | Formal Charge | 0 | | Complexity | 212 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 2-acetyloxybenzoic acid
Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
InChI: InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,
12)/f/h11H
Compound Information:
 Substance Information:
Substances:
All: 664 Links Same structure: 112 Links Mixture: 552 LinksCategory: [for same structure substances]
|
|
|
| Compound ID | 2244 |
| | Molecular Weight | 180.15742 [g/mol] |
| | Molecular Formula | C9H8O4 |
| | XLogP | 1.4 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 4 |
|
 Links |
