| Entry |
|
|---|
| Name |
Propacetamol hydrochloride;
Pro-dafalgan (TN) |
|---|
| Formula |
C14H20N2O3. HCl
|
|---|
| Exact mass |
300.1241
|
|---|
| Mol weight |
300.78
|
|---|
| 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
D08434 Propacetamol hydrochloride
Drug groups [BR:br08330]
Anti-inflammatory
DG01981 Anilide derivative, anti-inflammatory
DG00828 Propacetamol
D08434 Propacetamol hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D08434 Propacetamol hydrochloride
PTGS2 (COX2)
D08434 Propacetamol hydrochloride
Drug groups [BR:br08330]
Anti-inflammatory
DG01981 Anilide derivative, anti-inflammatory
DG00828 Propacetamol
Prodrugs [br08324.html]
DG00828
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8x C 27.2300 -18.6200
2 C8y C 27.2300 -17.2200
3 C8x C 26.0400 -16.5200
4 C8x C 24.8500 -17.2200
5 C8y C 24.8500 -18.6200
6 C8x C 26.0400 -19.3200
7 O7a O 23.5900 -19.3200
8 C7a C 22.4000 -18.6200
9 C1b C 21.1400 -19.3200
10 N1c N 19.9500 -18.6200
11 C1b C 18.7600 -19.3200
12 C1a C 17.5000 -18.6200
13 N1b N 28.4200 -16.5200
14 C5a C 29.6800 -17.2200
15 C1a C 30.8700 -16.5200
16 O5a O 29.6800 -18.6200
17 O6a O 22.4000 -17.2200
18 C1b C 19.9500 -17.2200
19 C1a C 18.7600 -16.5200
20 X Cl 34.5800 -17.9200
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
|
|---|
