| | COMPOUND: C11718 | |
Entry |
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Name |
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Formula |
C18H15ClN2O2S
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Exact mass |
358.0543
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Mol weight |
358.8419
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Structure |
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Remark |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AH Coxibs
M01AH05 Etoricoxib
D03710 Etoricoxib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01922 Selective COX2 inhibitor
DG01907 Anti-inflammatory drug, coxibs
D03710 Etoricoxib
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS2 (COX2)
D03710 Etoricoxib (USAN/INN)
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Other DBs |
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KCF data |
ATOM 24
1 C8y C 34.0200 -17.8500
2 C8y C 31.5700 -16.4500
3 C8x C 31.5700 -17.8500
4 C8x C 32.7600 -18.5500
5 C8x C 34.0200 -16.4500
6 C8x C 32.7600 -15.7500
7 S4a S 30.3800 -15.7500
8 C1a C 29.1200 -15.0500
9 O3c O 31.0800 -14.5600
10 O3c O 29.6800 -16.9400
11 C8y C 35.2100 -18.5500
12 C8y C 35.2100 -19.9500
13 N5x N 36.4000 -20.6500
14 C8x C 37.6600 -19.9500
15 C8y C 37.6600 -18.5500
16 C8x C 36.4700 -17.8500
17 C8y C 34.0200 -20.5800
18 C8x C 32.8300 -19.9500
19 C8x C 31.5700 -20.5800
20 C8y C 31.5700 -21.9800
21 N5x N 32.7600 -22.6800
22 C8x C 34.0200 -21.9800
23 C1a C 30.3800 -22.6800
24 X Cl 38.9200 -17.8500
BOND 26
1 2 3 2
2 3 4 1
3 4 1 2
4 1 5 1
5 5 6 2
6 2 6 1
7 2 7 1
8 7 8 1
9 7 9 2
10 7 10 2
11 1 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 12 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 20 23 1
26 15 24 1
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