KEGG   COMPOUND: C07002
Entry
C07002                      Compound                               
Name
Fluconazole
Formula
C13H12F2N6O
Exact mass
306.1041
Mol weight
306.2708
Structure
Remark
Same as: D00322
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC15 Fluconazole
      D00322  Fluconazole (JP18/USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AC Triazole and tetrazole derivatives
     J02AC01 Fluconazole
      D00322  Fluconazole (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Fluconazole
   D00322  Fluconazole (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00322  Fluconazole (JP18/USP/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01523  Triazole antifungal
   DG00371  Fluconazole
    D00322  Fluconazole
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   DG00371  Fluconazole
    D00322  Fluconazole
  DG01933  CYP2C19 inhibitor
   DG00371  Fluconazole
    D00322  Fluconazole
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    DG00371  Fluconazole
     D00322  Fluconazole
Drug classes [BR:br08332]
 Antifungal
  DG01523  Triazole antifungal
   D00322  Fluconazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Triazole
    D00322  Fluconazole (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00322  Fluconazole
  D00322  Fluconazole capsules
  D00322  Fluconazole injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00322
Prodrugs [br08324.html]
 D00322
Prodrugs [br08324.html]
 C07002
Other DBs
CAS: 86386-73-4
PubChem: 9215
PDB-CCD: TPF[PDBj]
LinkDB
KCF data

ATOM        22
            1   C8y C    18.6549  -16.4389
            2   C1d C    18.6549  -18.7586
            3   C8y C    19.8265  -15.7570
            4   C8x C    17.4717  -15.7570
            5   C1b C    17.4776  -19.4407
            6   C1b C    19.8324  -19.4407
            7   O1a O    18.6549  -20.1168
            8   C8x C    19.8265  -14.3988
            9   X   F    21.0098  -16.4389
            10  C8x C    17.4717  -14.3988
            11  N4y N    16.2944  -18.7586
            12  N4y N    21.0157  -18.7529
            13  C8y C    18.6549  -13.7169
            14  C8x C    16.1603  -17.4064
            15  N5x N    15.0646  -19.3124
            16  C8x C    21.1438  -17.4124
            17  N5x N    22.2456  -19.3124
            18  X   F    18.6549  -12.3530
            19  N5x N    14.8315  -17.1267
            20  C8x C    14.1494  -18.3099
            21  N5x N    22.4729  -17.1209
            22  C8x C    23.1606  -18.3042
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   11  14 1
            14   11  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   15  20 2
            20   16  21 2
            21   17  22 2
            22   10  13 1
            23   19  20 1
            24   21  22 1

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