| Entry |
|
|---|
| Name |
Ibuprofen sodium (USAN);
Ibuprofen sodium hydrate |
|---|
| Formula |
C13H17O2. Na. 2H2O
|
|---|
| Exact mass |
264.1338
|
|---|
| Mol weight |
264.29
|
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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
|
|---|
| Remark |
| Product (DG00245): | D00126<JP/US> D01122<JP> D06606<JP/US> |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor |
|---|
| Comment |
Propionic acid derivative
Treatment of pain, fever and rheumatic disorders
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2C9 [HSA: 1559]
|
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| Interaction |
|
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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
D09760 Ibuprofen sodium (USAN)
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CC Antiinflammatory products for vaginal administration
G02CC01 Ibuprofen
D09760 Ibuprofen sodium (USAN)
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AE Propionic acid derivatives
M01AE01 Ibuprofen
D09760 Ibuprofen sodium (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
D09760 Ibuprofen sodium (USAN)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AX Other throat preparations
R02AX02 Ibuprofen
D09760 Ibuprofen sodium (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01908 Anti-inflammatory drug, propionic acid derivatives
DG00245 Ibuprofen
D09760 Ibuprofen sodium
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00245 Ibuprofen
D09760 Ibuprofen sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D09760 Ibuprofen sodium (USAN)
PTGS2 (COX2)
D09760 Ibuprofen sodium (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09760
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 18
1 O6a O 28.4900 -19.3900 #-
2 C6a C 27.3000 -20.0900
3 C1c C 26.1100 -19.3900
4 O6a O 27.3000 -21.4900
5 C8y C 24.9200 -20.0900
6 C8x C 23.6600 -19.3900
7 C8x C 22.4700 -20.0900
8 C8y C 22.4700 -21.4900
9 C8x C 23.6600 -22.1900
10 C8x C 24.9200 -21.4900
11 C1b C 21.2800 -22.1900
12 C1c C 20.0200 -21.4900
13 C1a C 18.8300 -22.1900
14 C1a C 20.0200 -20.0900
15 C1a C 26.1100 -17.9900
16 Z Na 30.8543 -18.2517 #+
17 O0 O 32.1300 -20.5100
18 O0 O 32.1300 -21.9800
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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