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Aspirin - Substance Summary (SID: 476106)

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)


Drug and Chemical Information: (Total:5)         Display: Next 1 | All

Pharmacological Action

Anti-Inflammatory Agents, Non-Steroidal - Anti-inflammatory agents that are not steroids. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and ...

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 ...

Cyclooxygenase Inhibitors - Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme ...


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Molecular Mechanisms of Pharmacological Action
                  Enzyme Inhibitors
                        Cyclooxygenase Inhibitors
                  Fibrin Modulating Agents
                        Fibrinolytic Agents
            Physiological Effects of Drugs
                  Peripheral Nervous System Agents
                        Sensory System Agents
                              Analgesics
                                    Analgesics, Non-Narcotic
                                          Anti-Inflammatory Agents, Non-Steroidal
                                                Cyclooxygenase Inhibitors
            Therapeutic Uses
                  Anti-Inflammatory Agents
                        Anti-Inflammatory Agents, Non-Steroidal
                              Cyclooxygenase Inhibitors
                  Antirheumatic Agents
                        Anti-Inflammatory Agents, Non-Steroidal
                  Cardiovascular Agents
                        Fibrinolytic Agents
                  Hematologic Agents
                        Fibrinolytic Agents
                        Platelet Aggregation Inhibitors


  Chemical Classification
Organic Chemicals
      Carboxylic Acids
            Acids, Carbocyclic
                  Benzoic Acids
                        Hydroxybenzoic Acids
                              Salicylic Acids
                                    Aspirin
            Hydroxy Acids
                  Hydroxybenzoic Acids
                        Salicylic Acids
                              Aspirin
      Phenols
            Hydroxybenzoic Acids
                  Salicylic Acids
                        Aspirin


Safety 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


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Data Source:   

Depositor: DTP/NCI
External ID: 406186


BioActivity Results:
Tested in BioAssays: All: 6   Inactive: 6   
BioActivity Summary:
This Substance   with Similar Substances

AID: 175 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain

AID: 167 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the bub3 strain

AID: 165 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the cln2 rad14 strain

AID: 161 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain

more ...

Depositor-Supplied Synonyms: (Total: 110)
Display: Next 10 | All | Sort:
aspirin
Acylpyrin
Colfarit
Ecotrin
Enterosarein
Acenterine
Polopiryna
Micristin
Acetosal
ACETYLSALICYLIC ACID


Properties Computed from Structure:
Molecular Weight180.15742 [g/mol]
Molecular FormulaC9H8O4
XLogP1.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass180.042259
MonoIsotopic Mass180.042259
Topological Polar Surface Area63.6
Heavy Atom Count13
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


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



Substance Information:
SID: 476106   
Deposit Date: 2005-03-26
Modify Date: 2008-02-29

CID: 2244   
Create Date: 2004-09-16

Related Substances:
Same: 112 Links
Same, Connectivity: 114 Links

Similar Substances: 3679 Links


Depositor-Supplied Comments:
DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

Compound Displayed
Compound ID2244
Molecular Weight180.15742 [g/mol]
Molecular FormulaC9H8O4
XLogP1.4
H-Bond Donor1
H-Bond Acceptor4


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