KEGG   DRUG: Butoconazole nitrateHelp
Entry
D00880                      Drug                                   

Name
Butoconazole nitrate (USP);
Femstat (TN);
Gynazole-1 (TN)
Product
  Generic
Formula
C19H17Cl3N2S. HNO3
Exact mass
473.0134
Mol weight
474.7885
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
Same as: C08066
ATC code: G01AF15
Chemical structure group: DG00444
Product (DG00444): D00880<US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
Drug interaction
Structure map
map07026  Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF15 Butoconazole
      D00880  Butoconazole nitrate (USP) <US>
USP drug classification [BR:br08302]
 Antifungals
  Butoconazole
   D00880  Butoconazole nitrate (USP)
Antiinfectives [br08350.html]
 Antifungals
  D00880
Rx-to-OTC switch list in the USA [br08315.html]
 D00880
BRITE hierarchy
Other DBs
CAS: 64872-77-1
PubChem: 7847944
ChEBI: 3241
ChEMBL: CHEMBL1200398
DrugBank: DB00639
LigandBox: D00880
NIKKAJI: J395.789F
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1c C    25.9963  -13.7340
            2   S2a S    25.9963  -15.1315
            3   C1b C    27.2015  -13.0353
            4   C1b C    24.7851  -13.0353
            5   C8y C    25.9846  -16.5346
            6   N4y N    28.4126  -13.7340
            7   C1b C    23.5741  -13.7340
            8   C8y C    24.7677  -17.2275
            9   C8y C    27.1956  -17.2451
            10  C8x C    29.5130  -12.8665
            11  C8x C    28.9017  -15.0383
            12  C8y C    22.3688  -13.0353
            13  C8x C    24.7618  -18.6309
            14  X   Cl   23.5508  -16.5230
            15  C8x C    27.2599  -18.6425
            16  X   Cl   28.4009  -16.5230
            17  C8x C    30.6716  -13.6408
            18  N5x N    30.2932  -15.0500
            19  C8x C    21.1577  -13.7340
            20  C8x C    22.3688  -11.6263
            21  C8x C    25.9730  -19.3412
            22  C8x C    19.9409  -13.0353
            23  C8x C    21.1577  -10.9275
            24  C8y C    19.9409  -11.6263
            25  X   Cl   18.7239  -10.9333
            26  N2b N    20.5894  -17.4779 #+
            27  O1b O    19.3724  -18.1709
            28  O3a O    20.5835  -16.0747
            29  O3a O    21.8004  -18.1766 #-
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 1
            14    9  15 2
            15    9  16 1
            16   10  17 2
            17   11  18 2
            18   12  19 1
            19   12  20 2
            20   13  21 2
            21   19  22 2
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25   15  21 1
            26   17  18 1
            27   23  24 2
            28   26  27 1
            29   26  28 2
            30   26  29 1

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