| | COMPOUND: C01691 | |
Entry |
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Name |
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Formula |
C13H8F2O3
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Exact mass |
250.0442
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Mol weight |
250.1976
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02B OTHER ANALGESICS AND ANTIPYRETICS
N02BA Salicylic acid and derivatives
N02BA11 Diflunisal
D00130 Diflunisal (JAN/USP/INN) <US>
USP drug classification [BR:br08302]
Analgesics
Nonsteroidal Anti-inflammatory Drugs
Diflunisal
D00130 Diflunisal (JAN/USP/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01909 Anti-inflammatory drug, salicylic acid derivatives
D00130 Diflunisal
Drug classes [BR:br08332]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
D00130 Diflunisal
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D00130 Diflunisal (JAN/USP/INN) <US>
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Other DBs |
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KCF data |
ATOM 18
1 C8x C 19.1273 -17.5397
2 C8y C 19.1273 -18.9391
3 C8x C 20.3392 -19.6388
4 C8y C 21.5511 -18.9391
5 C8y C 21.5511 -17.5397
6 C8x C 20.3392 -16.8400
7 C8y C 22.7645 -16.8392
8 C8x C 23.9778 -17.5397
9 C8x C 25.1897 -16.8400
10 C8y C 25.1897 -15.4406
11 C8y C 23.9764 -14.7401
12 C8x C 22.7645 -15.4398
13 C6a C 23.9764 -13.3437
14 O6a O 25.1925 -12.6415
15 O6a O 22.7682 -12.6460
16 O1a O 26.4044 -14.7392
17 X F 17.9154 -19.6388
18 X F 22.7680 -19.6416
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 11 13 1
15 13 14 1
16 13 15 2
17 10 16 1
18 2 17 1
19 4 18 1
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