| Entry |
|
|---|
| Name |
Propacetamol (INN) |
|---|
| Formula |
C14H20N2O3
|
|---|
| Exact mass |
264.1474
|
|---|
| Mol weight |
264.3202
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Anti-inflammatory
DG01981 Anilide derivative, anti-inflammatory
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic, Antipyretic |
|---|
| Comment |
Aniline derivative
Active form of prodrug: Acetaminophen [DR: D00217]
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N02 ANALGESICS
N02B OTHER ANALGESICS AND ANTIPYRETICS
N02BE Anilides
N02BE05 Propacetamol
D07294 Propacetamol (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01981 Anilide derivative, anti-inflammatory
DG00828 Propacetamol
D07294 Propacetamol
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D07294 Propacetamol (INN)
PTGS2 (COX2)
D07294 Propacetamol (INN)
Prodrugs [br08324.html]
D07294
Drug groups [BR:br08330]
Anti-inflammatory
DG01981 Anilide derivative, anti-inflammatory
DG00828 Propacetamol
Prodrugs [br08324.html]
DG00828
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8x C 29.9600 -19.2500
2 C8y C 29.9600 -17.8500
3 C8x C 28.7700 -17.1500
4 C8x C 27.5800 -17.8500
5 C8y C 27.5800 -19.2500
6 C8x C 28.7700 -19.9500
7 O7a O 26.3200 -19.9500
8 C7a C 25.1300 -19.2500
9 C1b C 23.8700 -19.9500
10 N1c N 22.6800 -19.2500
11 C1b C 21.4900 -19.9500
12 C1a C 20.2300 -19.2500
13 N1b N 31.1500 -17.1500
14 C5a C 32.4100 -17.8500
15 C1a C 33.6000 -17.1500
16 O5a O 32.4100 -19.2500
17 O6a O 25.1300 -17.8500
18 C1b C 22.6800 -17.8500
19 C1a C 21.4676 -17.1500
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 2 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 8 17 2
18 10 18 1
19 18 19 1
|
|---|
