KEGG   DRUG: Sulfamethoxypyridazine
Entry
D02439                      Drug                                   
Name
Sulfamethoxypyridazine (INN);
Lederkyn (TN)
Formula
C11H12N4O3S
Exact mass
280.063
Mol weight
280.303
Structure
Simcomp
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01786  Long-acting sulfonamide
Remark
ATC code: J01ED05
Chemical structure group: DG00601
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01ED Long-acting sulfonamides
     J01ED05 Sulfamethoxypyridazine
      D02439  Sulfamethoxypyridazine (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00601  Sulfamethoxypyridazine
     D02439  Sulfamethoxypyridazine
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Long-acting sulfonamide
    D02439  Sulfamethoxypyridazine (INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00601  Sulfamethoxypyridazine
Other DBs
CAS: 80-35-3
PubChem: 7849497
ChEBI: 102516
LigandBox: D02439
NIKKAJI: J9.115D
LinkDB
KCF data

ATOM        19
            1   C8y C    23.8623  -17.0620
            2   S4a S    25.0724  -16.3639
            3   C8x C    23.8623  -18.4583
            4   C8x C    22.6987  -16.3639
            5   N1b N    26.2825  -17.0620
            6   O3c O    26.0498  -15.3865
            7   O3c O    24.0950  -15.3865
            8   C8x C    22.6987  -19.2030
            9   C8x C    21.4886  -17.0620
            10  C8y C    27.4927  -16.3639
            11  C8y C    21.4886  -18.4583
            12  N1a N    20.2320  -19.2030
            13  C8x C    28.7016  -17.0624
            14  C8x C    29.9110  -16.3647
            15  C8y C    29.9115  -14.9684
            16  N5x N    28.6326  -14.2699
            17  N5x N    27.4932  -14.9676
            18  O2a O    31.1222  -14.2699
            19  C1a C    32.3315  -14.9686
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     2   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    8  11 2
            11   11  12 1
            12    9  11 1
            13   10  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   10  17 1
            19   15  18 1
            20   18  19 1

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KEGG   DRUG: Sulfamethoxypyridazine sodium salt
Entry
D08540                      Drug                                   
Name
Sulfamethoxypyridazine sodium salt;
Avemix (TN)
Formula
C11H12N4O3S. Na
Exact mass
303.0528
Mol weight
303.2927
Structure
Simcomp
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01786  Long-acting sulfonamide
Remark
ATC code: J01ED05
Chemical structure group: DG00601
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01ED Long-acting sulfonamides
     J01ED05 Sulfamethoxypyridazine
      D08540  Sulfamethoxypyridazine sodium salt
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00601  Sulfamethoxypyridazine
     D08540  Sulfamethoxypyridazine sodium salt
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Long-acting sulfonamide
    D08540  Sulfamethoxypyridazine sodium salt
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00601  Sulfamethoxypyridazine
Other DBs
CAS: 2577-32-4
PubChem: 96025225
LigandBox: D08540
NIKKAJI: J192.082K
LinkDB
KCF data

ATOM        20
            1   C8y C    21.7700  -18.2700
            2   S4a S    22.9600  -17.5700
            3   C8x C    21.7700  -19.6700
            4   C8x C    20.5800  -17.5700
            5   N1b N    24.1500  -18.2700
            6   O3c O    23.9400  -16.5900
            7   O3c O    21.9800  -16.5900
            8   C8x C    20.5800  -20.4400
            9   C8x C    19.3900  -18.2700
            10  C8y C    25.4100  -17.5700
            11  C8y C    19.3900  -19.6700
            12  N1a N    18.1300  -20.4400
            13  C8x C    26.6000  -18.2700
            14  C8x C    27.7900  -17.5700
            15  C8y C    27.7900  -16.1700
            16  N5x N    26.5300  -15.4700
            17  N5x N    25.4100  -16.1700
            18  O2a O    29.0500  -15.4700
            19  C1a C    30.2400  -16.1700
            20  Z   Na   25.4100  -21.3500
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     2   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    8  11 2
            11   11  12 1
            12    9  11 1
            13   10  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   10  17 1
            19   15  18 1
            20   18  19 1

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