KEGG   DRUG: Aspirin aluminum
Entry
D05181                      Drug                                   

Name
Aspirin aluminum (JP17)
Formula
(C9H7O4)2. Al. OH
Exact mass
402.0531
Mol weight
402.2878
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Anti-inflammatory
 DG01909  Anti-inflammatory drug, salicylic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01909  Anti-inflammatory drug, salicylic acid derivatives
Remark
ATC code: A01AD05 B01AC06 N02BA01
Chemical structure group: DG00015
Product (DG00015): D00109<JP>
Efficacy
Analgesic, COX inhibitor
Comment
Salicylic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07048  Antimigraines
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
      D05181  Aspirin aluminum (JP17)
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC06 Acetylsalicylic acid
      D05181  Aspirin aluminum (JP17)
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA01 Acetylsalicylic acid
      D05181  Aspirin aluminum (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D05181  Aspirin aluminum (JP17)
  03 Antipyretic analgesic agents
   D05181  Aspirin aluminum (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Aspirin
    D05181  Aspirin aluminum (JP17)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Aspirin
    D05181  Aspirin aluminum (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D05181  Aspirin aluminum (JP17)
    PTGS2 (COX2)
     D05181  Aspirin aluminum (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D05181  Aspirin aluminum
Animal drugs in Japan [BR:br08331]
 91  Agents affecting nervous system
  913  Antipyretics, analgesics and antiinflammatory
   9131  Salicylic acids, derivatives and preparations
    D05181  Aspirin aluminum
Other DBs
CAS: 23413-80-1
PubChem: 47206905
LigandBox: D05181
NIKKAJI: J53.499D
LinkDB
KCF data

ATOM        28
            1   O0  O    29.8220  -21.0720 #-
            2   C6a C    25.5515  -18.9018
            3   O6a O    26.9517  -18.9018 #-
            4   O6a O    27.9318  -21.2821
            5   C7a C    26.9517  -22.2622
            6   O7a O    25.5515  -22.2622
            7   C8y C    24.5714  -21.2821
            8   C8y C    24.5714  -19.8819
            9   O6a O    24.9915  -17.6417
            10  C1a C    27.4417  -23.5923
            11  C8x C    23.3113  -19.1818
            12  C8x C    22.1212  -19.8819
            13  C8x C    22.1212  -21.2821
            14  C8x C    23.3113  -21.9821
            15  C6a C    33.6024  -20.6520
            16  O6a O    32.2023  -20.6520 #-
            17  O6a O    31.2221  -18.2717
            18  C7a C    32.2023  -17.2916
            19  O7a O    33.6024  -17.2916
            20  C8y C    34.5825  -18.2717
            21  C8y C    34.5825  -19.6719
            22  O6a O    34.1625  -21.9121
            23  C1a C    31.7122  -15.9615
            24  C8x C    35.8426  -20.3720
            25  C8x C    37.0328  -19.6719
            26  C8x C    37.0328  -18.2717
            27  C8x C    35.8426  -17.5717
            28  Z   Al   28.9819  -19.4619 #3+
BOND        26
            1     2   3 1
            2     4   5 2
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     8   2 1
            7     2   9 2
            8     5  10 1
            9     8  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13    7  14 2
            14   15  16 1
            15   17  18 2
            16   18  19 1
            17   19  20 1
            18   20  21 1
            19   21  15 1
            20   15  22 2
            21   18  23 1
            22   21  24 2
            23   24  25 1
            24   25  26 2
            25   26  27 1
            26   20  27 2

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