KEGG   DRUG: Metronidazole hydrochloride
Entry
D05016                      Drug                                   

Name
Metronidazole hydrochloride (USAN);
Flagyl I.V. (TN)
Formula
C6H9N3O3. HCl
Exact mass
207.0411
Mol weight
207.6149
Structure
Simcomp
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
      D05016  Metronidazole hydrochloride (USAN)
 D DERMATOLOGICALS
  D06 ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
   D06B CHEMOTHERAPEUTICS FOR TOPICAL USE
    D06BX Other chemotherapeutics
     D06BX01 Metronidazole
      D05016  Metronidazole hydrochloride (USAN)
 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
      D05016  Metronidazole hydrochloride (USAN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XD Imidazole derivatives
     J01XD01 Metronidazole
      D05016  Metronidazole hydrochloride (USAN)
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AB Nitroimidazole derivatives
     P01AB01 Metronidazole
      D05016  Metronidazole hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05016
Other DBs
CAS: 69198-10-3
PubChem: 47206743
ChEBI: 50687
ChEMBL: CHEMBL1200869
DrugBank: DB00916
LigandBox: D05016
NIKKAJI: J1.611.409J
LinkDB
KCF data

ATOM        13
            1   N4y N    22.2483  -16.2228
            2   C8y C    21.8345  -17.4879
            3   C8y C    21.1640  -15.4301
            4   C1b C    23.3153  -15.5992
            5   C8x C    20.5053  -17.4879
            6   N2b N    22.6157  -18.5665 #+
            7   N5x N    20.0855  -16.2228
            8   C1a C    21.1640  -14.1009
            9   C1b C    24.3995  -16.2812
            10  O3a O    23.7875  -19.7150
            11  O3a O    21.1582  -19.7207 #-
            12  O1a O    25.6763  -15.5992
            13  X   Cl   28.0000  -17.9200
BOND        12
            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

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