| Entry |
|
|---|
| Name |
Oxyphenbutazone hydrate;
Tandearil (TN) |
|---|
| Formula |
C19H20N2O3. H2O
|
|---|
| Exact mass |
342.158
|
|---|
| Mol weight |
342.389
|
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| Structure |
|
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| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, Antirheumatic, COX inhibitor |
|---|
| Comment |
NSAID
Pyrazolone derivative, phenylbutazone type
|
|---|
| Target |
|
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| Pathway |
|
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| Interaction |
|
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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
M01AA Butylpyrazolidines
M01AA03 Oxyphenbutazone
D05319 Oxyphenbutazone hydrate
M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA Antiinflammatory preparations, non-steroids for topical use
M02AA04 Oxyphenbutazone
D05319 Oxyphenbutazone hydrate
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01B ANTIINFLAMMATORY AGENTS
S01BC Antiinflammatory agents, non-steroids
S01BC02 Oxyphenbutazone
D05319 Oxyphenbutazone hydrate
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00746 Oxyphenbutazone
D05319 Oxyphenbutazone hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D05319 Oxyphenbutazone hydrate
PTGS2 (COX2)
D05319 Oxyphenbutazone hydrate
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01947 Anti-inflammatory drug, pyrazolone
DG01949 Anti-inflammatory drug, phenylbutazones
DG00746 Oxyphenbutazone
|
|---|
| Other DBs |
|
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| KCF data |
ATOM 25
1 C1y C 33.5111 -17.1748
2 C1b C 34.9131 -17.1748
3 C5x C 32.6698 -16.0531
4 N1y N 31.3614 -16.4738
5 N1y N 31.3614 -17.8758
6 C5x C 32.6698 -18.2964
7 O5x O 33.1373 -19.6050
8 O5x O 33.1373 -14.7445
9 C8y C 27.7161 -14.3706
10 C8x C 27.7161 -15.7728
11 C8x C 28.9311 -16.4738
12 C8y C 30.1462 -15.7728
13 C8x C 30.1462 -14.3706
14 C8x C 28.9311 -13.6696
15 C8x C 27.7161 -18.5768
16 C8x C 27.7161 -19.9789
17 C8x C 28.9311 -20.6799
18 C8x C 30.1462 -19.9789
19 C8y C 30.1462 -18.5768
20 C8x C 28.9311 -17.8758
21 C1b C 35.6142 -15.9606
22 C1b C 37.0162 -15.9606
23 C1a C 37.7177 -14.7457
24 O1a O 26.4859 -13.6605
25 O0 O 40.2500 -18.7600
BOND 26
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 9 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 9 14 1
15 12 4 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 5 1
23 2 21 1
24 21 22 1
25 22 23 1
26 9 24 1
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