| Entry |
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| Name |
Ibuprofen sodium;
Ibuprofen sodium anhydrous;
Esprenit (TN) |
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| Formula |
C13H17O2. Na
|
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| Exact mass |
228.1126
|
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| Mol weight |
228.2626
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| Structure |
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| Simcomp |
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| Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
|
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| Remark |
| Product (DG00245): | D00126<JP/US> D01122<JP> D06606<JP/US> |
|
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| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor |
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| Comment |
Propionic acid derivative
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP2C9 [HSA: 1559]
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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
D08059 Ibuprofen sodium
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CC Antiinflammatory products for vaginal administration
G02CC01 Ibuprofen
D08059 Ibuprofen sodium
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE01 Ibuprofen
D08059 Ibuprofen sodium
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
D08059 Ibuprofen sodium
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AX Other throat preparations
R02AX02 Ibuprofen
D08059 Ibuprofen sodium
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
D08059 Ibuprofen sodium
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
D08059 Ibuprofen sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D08059 Ibuprofen sodium
PTGS2 (COX2)
D08059 Ibuprofen sodium
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08059
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 16
1 O6a O 28.9800 -17.2200 #-
2 C6a C 27.7900 -17.9200
3 C1c C 26.6000 -17.2200
4 O6a O 27.7900 -19.3200
5 C8y C 25.4100 -17.9200
6 C8x C 24.1500 -17.2200
7 C8x C 22.9600 -17.9200
8 C8y C 22.9600 -19.3200
9 C8x C 24.1500 -20.0200
10 C8x C 25.4100 -19.3200
11 C1b C 21.7700 -20.0200
12 C1c C 20.5100 -19.3200
13 C1a C 19.3200 -20.0200
14 C1a C 20.5100 -17.9200
15 C1a C 26.6000 -15.8200
16 Z Na 31.7800 -18.6200 #+
BOND 15
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
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