KEGG   DRUG: Aspirin calcium salt
Entry
D07579                      Drug                                   

Name
Aspirin calcium salt;
Notras (TN)
Formula
(C9H7O4)2. Ca
Exact mass
398.0315
Mol weight
398.377
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, Anti-inflammatory, Antipyretic, 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
      D07579  Aspirin calcium salt
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC06 Acetylsalicylic acid
      D07579  Aspirin calcium salt
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA01 Acetylsalicylic acid
      D07579  Aspirin calcium salt
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07579  Aspirin calcium salt
    PTGS2 (COX2)
     D07579  Aspirin calcium salt
Other DBs
CAS: 69-46-5
PubChem: 51091894
LigandBox: D07579
NIKKAJI: J4.867D
KCF data

ATOM        27
            1   C8y C    22.3300  -17.5000
            2   C8y C    23.5900  -18.2000
            3   C8x C    21.1400  -18.2000
            4   C6a C    22.3300  -16.2400
            5   C8x C    23.5900  -19.6000
            6   O7a O    24.7800  -17.4300
            7   C8x C    21.1400  -19.6000
            8   O6a O    23.5900  -15.5400 #-
            9   O6a O    21.1400  -15.5400
            10  C8x C    22.3300  -20.3000
            11  C7a C    26.0400  -18.1300
            12  C1a C    27.2300  -17.4300
            13  O6a O    26.0400  -19.6000
            14  Z   Ca   32.4800  -17.8500 #2+
            15  C8y C    22.3300  -17.5000
            16  C8y C    23.5900  -18.2000
            17  C8x C    23.5900  -19.6000
            18  C8x C    22.3300  -20.3000
            19  C8x C    21.1400  -19.6000
            20  C8x C    21.1400  -18.2000
            21  O7a O    24.7800  -17.4300
            22  C7a C    26.0400  -18.1300
            23  C1a C    27.2300  -17.4300
            24  O6a O    26.0400  -19.6000
            25  C6a C    22.3300  -16.2400
            26  O6a O    23.5900  -15.5400 #-
            27  O6a O    21.1400  -15.5400
BOND        26
            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
            14   15  16 1
            15   15  20 2
            16   15  25 1
            17   16  17 2
            18   16  21 1
            19   20  19 1
            20   25  26 1
            21   25  27 2
            22   17  18 1
            23   21  22 1
            24   22  23 1
            25   22  24 2
            26   19  18 2
BRACKET     1    19.1800  -21.1400   19.1800  -14.1400
            1    29.6800  -14.1400   29.6800  -21.1400
            1  2
 ORIGINAL  1    1   2   5  10   7   3   6  11  12  13   4   8   9
 REPEAT    1   15  16  17  18  19  20  21  22  23  24  25  26  27

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