| Entry |
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|---|---|---|---|---|---|---|---|---|---|
| Name | Aspirin calcium salt; Notras (TN) | ||||||||
| Formula | (C9H7O4)2. Ca | ||||||||
| Exact mass | 398.0315 | ||||||||
| Mol weight | 398.377 | ||||||||
| Structure |  | ||||||||
| Simcomp | |||||||||
| Class | Blood modifier agent DG01950 Antithrombotic agent DG01712 Antiplatelet agent Anti-inflammatory DG01504 Nonsteroidal anti-inflammatory drug (NSAID) DG01909 Anti-inflammatory drug, salicylic acid derivatives | ||||||||
| Remark |
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| 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 |
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| Interaction | |||||||||
| Structure map |
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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 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 Drug groups [BR:br08330] Blood modifier agent DG01950 Antithrombotic agent DG01712 Antiplatelet agent DG00015 Acetylsalicylic acid D07579 Aspirin calcium salt Anti-inflammatory DG01504 Nonsteroidal anti-inflammatory drug (NSAID) DG01909 Anti-inflammatory drug, salicylic acid derivatives DG00015 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 Drug groups [BR:br08330] Blood modifier agent DG01950 Antithrombotic agent DG01712 Antiplatelet agent DG00015 Acetylsalicylic acid Anti-inflammatory DG01504 Nonsteroidal anti-inflammatory drug (NSAID) DG01909 Anti-inflammatory drug, salicylic acid derivatives DG00015 Acetylsalicylic acid | ||||||||
| Other DBs |
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| 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 |