KEGG   DRUG: Sulfadimethoxine
Entry
D01142                      Drug                                   
Name
Sulfadimethoxine (JAN/USP);
Abcid (TN);
Agribon (TN)
Formula
C12H14N4O4S
Exact mass
310.0736
Mol weight
310.33
Structure
Simcomp
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01786  Long-acting sulfonamide
Remark
ATC code: J01ED01
Chemical structure group: DG00600
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
map07055  Sulfonamide derivatives - overview
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
     J01ED01 Sulfadimethoxine
      D01142  Sulfadimethoxine (JAN/USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00600  Sulfadimethoxine
     D01142  Sulfadimethoxine
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Long-acting sulfonamide
    D01142  Sulfadimethoxine (JAN/USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00600  Sulfadimethoxine
Other DBs
CAS: 122-11-2
PubChem: 7848205
ChEBI: 32161
LigandBox: D01142
NIKKAJI: J3.257C
LinkDB
KCF data

ATOM        21
            1   C8x C    19.7400  -24.5700
            2   C8y C    19.7400  -25.9700
            3   C8x C    20.9300  -26.6700
            4   C8x C    22.1200  -25.9700
            5   C8y C    22.1200  -24.5700
            6   C8x C    20.9300  -23.8700
            7   N1a N    18.4800  -26.6700
            8   S4a S    23.3100  -23.8700
            9   N1b N    24.5700  -24.5700
            10  C8y C    25.7600  -23.8700
            11  C8x C    26.9500  -24.5700
            12  C8y C    28.2100  -23.8700
            13  N5x N    28.2100  -22.4700
            14  C8y C    26.9500  -21.7700
            15  N5x N    25.7600  -22.4700
            16  O3c O    24.3600  -22.8200
            17  O3c O    22.3300  -22.8200
            18  O2a O    29.4000  -24.5700
            19  C1a C    30.5900  -23.8700
            20  O2a O    26.9500  -20.3700
            21  C1a C    28.2100  -19.6700
BOND        22
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     2   7 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    1   2 2
            12    8  16 2
            13    5   8 1
            14    8  17 2
            15    2   3 1
            16   12  18 1
            17    8   9 1
            18   18  19 1
            19    3   4 2
            20   14  20 1
            21    9  10 1
            22   20  21 1

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KEGG   DRUG: Sulfadimethoxine sodium
Entry
D08538                      Drug                                   
Name
Sulfadimethoxine sodium (USP);
Bactotril (TN)
Formula
C12H13N4O4S. Na
Exact mass
332.0555
Mol weight
332.31
Structure
Simcomp
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01786  Long-acting sulfonamide
Remark
Same as: C18386
ATC code: J01ED01
Chemical structure group: DG00600
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
map07055  Sulfonamide derivatives - overview
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
     J01ED01 Sulfadimethoxine
      D08538  Sulfadimethoxine sodium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00600  Sulfadimethoxine
     D08538  Sulfadimethoxine sodium
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Long-acting sulfonamide
    D08538  Sulfadimethoxine sodium (USP)
Drug groups [BR:br08330]
 Antibacterial
  DG01787  Sulfonamide antibacterial
   DG01786  Long-acting sulfonamide
    DG00600  Sulfadimethoxine
Other DBs
CAS: 1037-50-9
PubChem: 96025223
ChEBI: 81722
LigandBox: D08538
NIKKAJI: J422.655K
LinkDB
KCF data

ATOM        22
            1   C8x C    22.8200  -21.8400
            2   C8y C    22.8200  -23.2400
            3   C8x C    24.0100  -23.9400
            4   C8x C    25.2000  -23.2400
            5   C8y C    25.2000  -21.8400
            6   C8x C    24.0100  -21.1400
            7   N1a N    21.5600  -23.9400
            8   S4a S    26.3900  -21.1400
            9   N1b N    27.5800  -21.8400 #-
            10  C8y C    28.7700  -21.1400
            11  C8x C    29.9600  -21.8400
            12  C8y C    31.2200  -21.1400
            13  N5x N    31.2200  -19.7400
            14  C8y C    29.9600  -19.0400
            15  N5x N    28.7700  -19.7400
            16  O3c O    27.4400  -20.0900
            17  O3c O    25.4100  -20.0900
            18  O2a O    32.4100  -21.8400
            19  C1a C    33.6000  -21.1400
            20  O2a O    29.9600  -17.6400
            21  C1a C    31.2200  -16.9400
            22  Z   Na   27.3700  -23.7300 #+
BOND        22
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     2   7 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    1   2 2
            12    8  16 2
            13    5   8 1
            14    8  17 2
            15    2   3 1
            16   12  18 1
            17    8   9 1
            18   18  19 1
            19    3   4 2
            20   14  20 1
            21    9  10 1
            22   20  21 1

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