KEGG   DRUG: AspirinHelp
Entry
D00109                      Drug                                   

Name
Aspirin (JP17/USP);
Aspalon (JAN);
Acetylsalicylic acid;
Easprin (TN)
Product
Formula
C9H8O4
Exact mass
180.0423
Mol weight
180.1574
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Anti-inflammatory
 DG01909  Antiinflammatory drug, salicylic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01909  Antiinflammatory drug, salicylic acid derivatives
Remark
Same as: C01405
Therapeutic category: 1143 3399
ATC code: A01AD05 B01AC06 N02BA01
Chemical structure group: DG00015
Product (DG00015): D00109<JP/US>
Product (mixture): D03960<JP> D02154<US> D10527<JP> D10513<JP>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, Antirheumatic, Antiplatelet, COX inhibitor
  Disease
Myocardial infarction [DS:H01730]
Unstable angina pectoris [DS:H01632]
Chronic stable angina [DS:H01632]
Comment
Salicylic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Structure map
map07048  Antimigraines
map07049  Antithrombosis agents
map07110  Benzoic acid family
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AD Other agents for local oral treatment
     A01AD05 Acetylsalicylic acid
      D00109  Aspirin (JP17/USP) <JP/US>
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC06 Acetylsalicylic acid
      D00109  Aspirin (JP17/USP) <JP/US>
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA01 Acetylsalicylic acid
      D00109  Aspirin (JP17/USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1143  Salicylates
     D00109  Aspirin (JP17/USP); Aspalon (JAN)
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   339  Miscellaneous
    3399  Others
     D00109  Aspirin (JP17/USP); Aspalon (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D00109  Aspirin (JP17/USP)
  03 Antipyretic analgesic agents
   D00109  Aspirin (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Aspirin
    D00109  Aspirin (JP17/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Aspirin
    D00109  Aspirin (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00109  Aspirin (JP17/USP) <JP/US>
    PTGS2 (COX2)
     D00109  Aspirin (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00109  Aspirin
  D00109  Aspirin tablets
Drug classes of therapeutic agents [br08360.html]
 Antirheumatic and antigout agents
  D00109
 Anesthetics, analgesics and anti-inflammatory drugs
  D00109
Rx-to-OTC switch list in the USA [br08315.html]
 D00109
BRITE hierarchy
Other DBs
CAS: 50-78-2
PubChem: 7847177
ChEBI: 15365
ChEMBL: CHEMBL25
DrugBank: DB00945
PDB-CCD: AIN[PDBj]
LigandBox: D00109
NIKKAJI: J2.300K
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    20.2981  -15.8105
            2   C8y C    21.5226  -16.5029
            3   C8x C    19.0928  -16.5029
            4   C6a C    20.2981  -14.6227
            5   C8x C    21.5226  -17.9133
            6   O7a O    22.7278  -15.8040
            7   C8x C    19.0928  -17.9133
            8   O6a O    21.5033  -13.9240
            9   O6a O    19.0863  -13.9304
            10  C8x C    20.2981  -18.6250
            11  C7a C    23.9396  -16.4964
            12  C1a C    25.1450  -15.7977
            13  O6a O    23.9396  -17.8942
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11   11  12 1
            12   11  13 2
            13    7  10 2

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