KEGG   DRUG: D06236Help
Entry
D06236                      Drug                                   

Name
Trimethoprim sulfate (USP)
Formula
(C14H18N4O3)2. H2SO4
Exact mass
678.2432
Mol weight
678.7139
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
ATC code: 
Drug group: 
Comment
Component of Polytrim (TN)
Target
dihydrofolate reductase inhibitor [KO:K13938]
  Pathway
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis  
 
Interaction
CYP inhibition: CYP2C8 [HSA:1558]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01EA Trimethoprim and derivatives
     J01EA01 Trimethoprim
      D06236  Trimethoprim sulfate (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Trimethoprim
    D06236  Trimethoprim sulfate (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   dihydrofolate reductase inhibitor
    Trimethoprim derivatives
     Trimethoprim
      D06236  Trimethoprim sulfate (USP)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2C8
   Trimethoprim
    D06236  Trimethoprim sulfate (USP)
BRITE hierarchy
Other DBs
CAS: 
56585-33-2
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        47
            1   C8y C    12.8840  -15.2354
            2   C1b C    14.0934  -15.9267
            3   C8x C    11.6680  -15.9457
            4   C8x C    12.8840  -13.8275
            5   C8y C    15.2902  -15.2290
            6   C8y C    10.4587  -15.2354
            7   C8y C    11.6680  -13.1302
            8   C8y C    16.4996  -15.9392
            9   C8x C    15.2902  -13.8212
            10  C8y C    10.4587  -13.8275
            11  O2a O     9.2492  -15.9267
            12  O2a O    11.6618  -11.7414
            13  N5x N    17.7218  -15.2290
            14  N1a N    16.4931  -17.3279
            15  N5x N    16.4996  -13.1237
            16  O2a O     9.2555  -13.2001
            17  C1a C     8.0526  -15.2225
            18  C1a C    12.8648  -11.0375
            19  C8y C    17.7218  -13.8212
            20  C1a C     9.2555  -11.7414
            21  N1a N    18.9250  -13.1174
            22  S4a S    24.1920  -13.6900
            23  O1d O    24.1920  -12.2900
            24  O1d O    24.1920  -15.0900
            25  O1d O    22.7919  -13.6900
            26  O1d O    25.5919  -13.6900
            27  C8y C    12.8840  -15.2354
            28  C1b C    14.0934  -15.9267
            29  C8y C    15.2902  -15.2290
            30  C8y C    16.4996  -15.9392
            31  N5x N    17.7218  -15.2290
            32  C8y C    17.7218  -13.8212
            33  N1a N    18.9250  -13.1174
            34  N5x N    16.4996  -13.1237
            35  C8x C    15.2902  -13.8212
            36  N1a N    16.4931  -17.3279
            37  C8x C    11.6680  -15.9457
            38  C8y C    10.4587  -15.2354
            39  C8y C    10.4587  -13.8275
            40  O2a O     9.2555  -13.2001
            41  C1a C     9.2555  -11.7414
            42  C8y C    11.6680  -13.1302
            43  C8x C    12.8840  -13.8275
            44  O2a O    11.6618  -11.7414
            45  C1a C    12.8648  -11.0375
            46  O2a O     9.2492  -15.9267
            47  C1a C     8.0526  -15.2225
BOND        48
            1    22  23 2
            2    22  24 2
            3    22  25 1
            4    22  26 1
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     2   5 1
            9     3   6 2
            10    4   7 1
            11    5   8 2
            12    5   9 1
            13    6  10 1
            14    6  11 1
            15    7  12 1
            16    8  13 1
            17    8  14 1
            18    9  15 2
            19   10  16 1
            20   11  17 1
            21   12  18 1
            22   13  19 2
            23   16  20 1
            24   19  21 1
            25    7  10 2
            26   15  19 1
            27   27  28 1
            28   27  37 1
            29   27  43 2
            30   28  29 1
            31   37  38 2
            32   43  42 1
            33   29  30 2
            34   29  35 1
            35   38  39 1
            36   38  46 1
            37   42  44 1
            38   30  31 1
            39   30  36 1
            40   35  34 2
            41   39  40 1
            42   46  47 1
            43   44  45 1
            44   31  32 2
            45   40  41 1
            46   32  33 1
            47   42  39 2
            48   34  32 1
BRACKET     1     6.1600  -18.2700    6.1600   -9.9400
            1    20.6500   -9.9400   20.6500  -18.2700
            1  2
 ORIGINAL  1    1   2   5   8  13  19  21  15   9  14   3   6  10  16  20   7
            1    4  12  18  11  17
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

» Japanese version   » Back

DBGET integrated database retrieval system