| Entry |
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| Name |
Aspirin DL-lysine (JAN);
Aspirin lysine salt;
Aspegic (TN)
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| Formula |
C9H7O4. C6H15N2O2
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| Exact mass |
326.1478
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| Mol weight |
326.345
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| Structure |
     |
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| Activity |
Analgesic;
Anticoagulant, platelet aggregation inhibitor;
Antiinflammatory;
Antipyretic
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| Remark |
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| Comment |
nonsteroidal antiinflammatory drug (NSAIDs)
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| Target |
cyclooxygenase-1 (COX-1) inhibitor [HSA: 5742] [KO: K00509]; cyclooxygenase-2 (COX-2) inhibitor [HSA: 5743] [KO: K11987] |
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| Pathway |
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| Interaction |
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| 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
D07580 Aspirin DL-lysine (JAN)
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AC Platelet aggregation inhibitors excl. heparin
B01AC06 Acetylsalicylic acid
D07580 Aspirin DL-lysine (JAN)
N NERVOUS SYSTEM
N02 ANALGESICS
N02B OTHER ANALGESICS AND ANTIPYRETICS
N02BA Salicylic acid and derivatives
N02BA01 Acetylsalicylic acid
D07580 Aspirin DL-lysine (JAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
cyclooxygenase-1 (COX-1) [HSA:5742] [KO:K00509]
Acetylsalicylic acid [ATC:A01AD05 B01AC06 N02BA01]
D07580 Aspirin lysine salt
cyclooxygenase-2 (COX-2) [HSA:5743] [KO:K11987]
Acetylsalicylic acid [ATC:A01AD05 B01AC06 N02BA01]
D07580 Aspirin lysine salt
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| Other DBs |
CAS: 62952-06-1 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 23
1 C8y C 9.2400 -18.1300
2 C8y C 10.5000 -18.8300
3 C8x C 8.0500 -18.8300
4 C6a C 9.2400 -16.8700
5 C8x C 10.5000 -20.2300
6 O7a O 11.6200 -18.0600
7 C8x C 8.0500 -20.2300
8 O6a O 10.5000 -16.1700 #-
9 O6a O 8.0500 -16.1700
10 C8x C 9.2400 -20.9300
11 C7a C 12.8800 -18.7600
12 C1a C 14.0700 -18.0600
13 O6a O 12.8800 -20.2300
14 N1a N 25.9700 -17.6400 #+
15 C1b C 24.7800 -18.3400
16 C1b C 23.5900 -17.6400
17 C1b C 22.3300 -18.3400
18 C1b C 21.1400 -17.6400
19 C1c C 19.9500 -18.3400
20 C6a C 18.6900 -17.6400
21 O6a O 17.5000 -18.3400
22 O6a O 18.6900 -16.2400
23 N1a N 19.9500 -19.7400
BOND 22
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 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 2
22 19 23 1
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