KEGG   DRUG: DipyroneHelp
Entry
D08190                      Drug                                   

Name
Dipyrone (BAN);
Metamizole sodium;
Vetalgin (TN)
Formula
C13H16N3O4S. Na
Exact mass
333.0759
Mol weight
333.3386
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01947  Antiinflammatory drug, pyrazolone
Remark
ATC code: N02BB02
Chemical structure group: DG00827
Product (DG00827): D01762<JP>
Efficacy
Analgesic, Antipyretic
Comment
Pyrazolone derivative
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BB Pyrazolones
     N02BB02 Metamizole sodium
      D08190  Dipyrone (BAN)
BRITE hierarchy
Other DBs
CAS: 68-89-3
PubChem: 96024880
ChEBI: 59033
ChEMBL: CHEMBL487894
LigandBox: D08190
NIKKAJI: J3.529G
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    17.1997  -23.7097
            2   C8x C    17.1997  -25.1082
            3   C8x C    18.3884  -25.7375
            4   C8x C    19.6471  -25.1082
            5   C8y C    19.6471  -23.7097
            6   C8x C    18.3884  -23.0105
            7   N4y N    20.8358  -23.0105
            8   N4y N    20.8358  -21.6120
            9   C1a C    19.6471  -20.9127
            10  C8y C    22.1643  -23.4300
            11  C8y C    23.0034  -22.3112
            12  C8y C    22.1643  -21.1924
            13  N1c N    24.4019  -22.3112
            14  O5x O    22.5839  -24.7586
            15  C1a C    22.5839  -19.8639
            16  C1a C    25.0313  -20.9127
            17  C1b C    25.1012  -23.4999
            18  S4a S    26.4297  -23.4999
            19  O1d O    27.8982  -23.4999 #-
            20  O1d O    26.4297  -22.1014
            21  O1d O    26.4297  -24.8984
            22  Z   Na   29.9260  -23.5699 #+
BOND        22
            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    7  10 1
            11   10  11 1
            12   11  12 2
            13    8  12 1
            14   11  13 1
            15   10  14 2
            16   12  15 1
            17   13  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2
            22   18  21 2

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