KEGG   COMPOUND: C08065Help
Entry
C08065                      Compound                               

Name
Butoconazole
Formula
C19H17Cl3N2S
Exact mass
410.0178
Mol weight
411.7757
Structure
Mol fileKCF fileDB search
Remark
Same as: D07598
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
      D07598  Butoconazole (INN)
USP drug classification [BR:br08302]
 Antifungals
  Butoconazole
   D07598  Butoconazole (INN)
BRITE hierarchy
Other DBs
CAS: 64872-76-0
PubChem: 10265
ChEBI: 3240
ChEMBL: CHEMBL1295
NIKKAJI: J375.040J
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1c C    25.7602  -13.7141
            2   S2a S    25.7602  -15.1083
            3   C1b C    26.9735  -13.0140
            4   C1b C    24.5466  -13.0140
            5   C8y C    25.7542  -16.5085
            6   N4y N    28.1869  -13.7141
            7   C1b C    23.3332  -13.7141
            8   C8y C    24.5349  -17.2086
            9   C8y C    26.9676  -17.2202
            10  C8x C    29.2897  -12.8448
            11  C8x C    28.6771  -15.0209
            12  C8y C    22.1313  -13.0140
            13  C8x C    24.5292  -18.6087
            14  X   Cl   23.3156  -16.5027
            15  C8x C    26.9560  -18.6263
            16  X   Cl   28.1695  -16.5027
            17  C8x C    30.4389  -13.6207
            18  N5x N    30.0655  -15.0325
            19  C8x C    20.9237  -13.7141
            20  C8x C    22.1313  -11.6138
            21  C8x C    25.7368  -19.3146
            22  C8x C    19.7044  -13.0140
            23  C8x C    20.9237  -10.9080
            24  C8y C    19.7044  -11.6138
            25  X   Cl   18.4853  -10.9138
BOND        27
            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

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