KEGG   DRUG: Metronidazole benzoate
Entry
D08214                      Drug                                   

Name
Metronidazole benzoate (USP);
Elyzol (TN)
Formula
C13H13N3O4
Exact mass
275.0906
Mol weight
275.26
Structure
Class
Antiparasitic
 DG01884  Imidazole antiprotozoal
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
Remark
ATC code: A01AB17 D06BX01 G01AF01 J01XD01 P01AB01
Chemical structure group: DG00006
Product (DG00006): D00409<JP/US>
Efficacy
Antibacterial, Antiprotozoal, DNA synthesis inhibitor
Comment
Nitroimidazole derivative
Target
DNA
Metabolism
Enzyme: CYP2A6 [HSA:1548]
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB17 Metronidazole
      D08214  Metronidazole benzoate (USP)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BX Other chemotherapeutics
     D06BX01 Metronidazole
      D08214  Metronidazole benzoate (USP)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF01 Metronidazole
      D08214  Metronidazole benzoate (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XD Imidazole derivatives
     J01XD01 Metronidazole
      D08214  Metronidazole benzoate (USP)
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AB Nitroimidazole derivatives
     P01AB01 Metronidazole
      D08214  Metronidazole benzoate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08214
Other DBs
CAS: 13182-89-3
PubChem: 96024902
ChEMBL: CHEMBL1466172
LigandBox: D08214
NIKKAJI: J213.728C
KCF data

ATOM        20
            1   N4y N    23.5200  -17.2900
            2   C8y C    23.1000  -18.5500
            3   C8y C    22.4000  -16.4500
            4   C1b C    24.5700  -16.6600
            5   C8x C    21.7700  -18.5500
            6   N2b N    23.8700  -19.6000 #+
            7   N5x N    21.3500  -17.2900
            8   C1a C    22.4000  -15.1200
            9   C1b C    25.6900  -17.3600
            10  O3a O    25.0600  -20.7900
            11  O3a O    22.4000  -20.7900 #-
            12  O7a O    26.9500  -16.6600
            13  C7a C    28.1507  -17.3799
            14  C8y C    29.3746  -16.7000
            15  O6a O    28.1278  -18.7599
            16  C8x C    30.6074  -17.4387
            17  C8x C    31.8310  -16.7585
            18  C8x C    31.8538  -15.3587
            19  C8x C    30.6211  -14.6199
            20  C8x C    29.3974  -15.3001
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 2
            10    6  11 1
            11    9  12 1
            12    5   7 1
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   14  20 1

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