KEGG   DRUG: Propacetamol hydrochloride
Entry
D08434                      Drug                                   

Name
Propacetamol hydrochloride;
Pro-dafalgan (TN)
Formula
C14H20N2O3. HCl
Exact mass
300.1241
Mol weight
300.7811
Structure
Simcomp
Class
Anti-inflammatory
 DG01981  Anti-inflammatory drug, anilide derivatives
Remark
ATC code: N02BE05
Chemical structure group: DG00828
Efficacy
Analgesic, Antipyretic
Comment
Aniline derivative
Active form of prodrug: Acetaminophen [DR:D00217]
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
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
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08434  Propacetamol hydrochloride
    PTGS2 (COX2)
     D08434  Propacetamol hydrochloride
Prodrugs [br08324.html]
 DG00828
Other DBs
CAS: 66532-86-3
PubChem: 96025120
ChEMBL: CHEMBL1795480
LigandBox: D08434
NIKKAJI: J311.985H
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

» Japanese version   » Back

DBGET integrated database retrieval system