| Entry |
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| Name |
Ibuprofen aluminum (USAN)
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| Formula |
C26H35AlO5
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| Exact mass |
454.23
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| Mol weight |
454.5346
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| Structure |
     |
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| Activity |
Anti-inflammatory
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| Remark |
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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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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB16 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CC Antiinflammatory products for vaginal administration
G02CC01 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE01 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA Antiinflammatory preparations, non-steroids for topical use
M02AA13 Ibuprofen
D04490 Ibuprofen aluminum (USAN)
USP drug classification [BR:br08302]
Analgesics
Nonsteroidal Anti-inflammatory Drugs
Ibuprofen
D04490 Ibuprofen aluminum (USAN)
Anti-inflammatory Agents
Nonsteroidal Anti-inflammatory Drugs
Ibuprofen
D04490 Ibuprofen aluminum (USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
cyclooxygenase-1 (COX-1) [HSA:5742] [KO:K00509]
Ibuprofen [ATC:C01EB16 G02CC01 M01AE01 M02AA13]
D04490 Ibuprofen aluminum (USAN)
cyclooxygenase-2 (COX-2) [HSA:5743] [KO:K11987]
Ibuprofen [ATC:C01EB16 G02CC01 M01AE01 M02AA13]
D04490 Ibuprofen aluminum (USAN)
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| Other DBs |
CAS: 61054-06-6 PubChem: DrugBank: NIKKAJI: |
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| KCF data |
ATOM 32
1 O7a O 27.5800 -8.1200
2 C7a C 26.3900 -8.8200
3 C1c C 25.2000 -8.1200
4 O6a O 26.3900 -10.2200
5 C8y C 24.0100 -8.8200
6 C8x C 22.7500 -8.1200
7 C8x C 21.5600 -8.8200
8 C8y C 21.5600 -10.2200
9 C8x C 22.7500 -10.9200
10 C8x C 24.0100 -10.2200
11 C1b C 20.3700 -10.9200
12 C1c C 19.1100 -10.2200
13 C1a C 17.9200 -10.9200
14 C1a C 19.1100 -8.8200
15 C1a C 25.2000 -6.7200
16 Z Al 28.7981 -8.8101
17 O7a O 30.2400 -8.1900
18 C7a C 31.4300 -8.8900
19 C1c C 32.6200 -8.1900
20 O6a O 31.4300 -10.2900
21 C8y C 33.8100 -8.8900
22 C8x C 35.0700 -8.1900
23 C8x C 36.2600 -8.8900
24 C8y C 36.2600 -10.2900
25 C8x C 35.0700 -10.9900
26 C8x C 33.8100 -10.2900
27 C1b C 37.4500 -10.9900
28 C1c C 38.7100 -10.2900
29 C1a C 39.9000 -10.9900
30 C1a C 38.7100 -8.8900
31 C1a C 32.6200 -6.7900
32 O1a O 28.7912 -10.2191
BOND 33
1 2 4 2
2 3 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 8 9 1
7 9 10 2
8 10 5 1
9 8 11 1
10 1 2 1
11 11 12 1
12 12 13 1
13 2 3 1
14 12 14 1
15 3 15 1
16 1 16 1
17 18 20 2
18 19 21 1
19 21 22 2
20 22 23 1
21 23 24 2
22 24 25 1
23 25 26 2
24 26 21 1
25 24 27 1
26 17 18 1
27 27 28 1
28 28 29 1
29 18 19 1
30 28 30 1
31 19 31 1
32 16 17 1
33 16 32 1
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