KEGG   COMPOUND: C08066Help
Entry
C08066                      Compound                               

Name
Butoconazole nitrate
Formula
C19H17Cl3N2S. HNO3
Exact mass
473.0134
Mol weight
474.7885
Structure
Mol fileKCF fileDB search
Remark
Same as: D00880
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: 10266
ChEBI: 3241
ChEMBL: CHEMBL1200398
NIKKAJI: J395.789F
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1c C    26.1363  -17.7940
            2   S2a S    26.1363  -19.1915
            3   C1b C    27.3415  -17.0953
            4   C1b C    24.9251  -17.0953
            5   C8y C    26.1246  -20.5946
            6   N4y N    28.5526  -17.7940
            7   C1b C    23.7141  -17.7940
            8   C8y C    24.9077  -21.2875
            9   C8y C    27.3356  -21.3051
            10  C8x C    29.6530  -16.9265
            11  C8x C    29.0417  -19.0983
            12  C8y C    22.5088  -17.0953
            13  C8x C    24.9018  -22.6909
            14  X   Cl   23.6908  -20.5830
            15  C8x C    27.3999  -22.7025
            16  X   Cl   28.5409  -20.5830
            17  C8x C    30.8116  -17.7008
            18  N5x N    30.4332  -19.1100
            19  C8x C    21.2977  -17.7940
            20  C8x C    22.5088  -15.6863
            21  C8x C    26.1130  -23.4012
            22  C8x C    20.0809  -17.0953
            23  C8x C    21.2977  -14.9875
            24  C8y C    20.0809  -15.6863
            25  X   Cl   18.8639  -14.9933
            26  N2b N    19.5394  -21.5379 #+
            27  O1b O    18.3224  -22.2309
            28  O3a O    19.5335  -20.1347
            29  O3a O    20.7504  -22.2366 #-
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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