KEGG   DRUG: Trimethoprim sulfateHelp
Entry
D06236                      Drug                                   

Name
Trimethoprim sulfate (USP)
Formula
(C14H18N4O3)2. H2SO4
Exact mass
678.2432
Mol weight
678.7139
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01581  Trimethoprim antibacterial
Cyp inhibitor
 DG01641  CYP2C8 inhibitor
Unclassified
 DG01931  Antifolate, antibacterial
Remark
ATC code: 
Chemical group: 
Activity
Antibacterial, Folic acid biosynthesis inhibitor
Comment
Trimethoprims
Component of Polytrim (TN)
Target
dihydrofolate reductase [KO:K13938]
  Pathway
One carbon pool by folate
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)
Cytochrome P450 interactions [BR:br08309]
 CYP 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

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