KEGG   DRUG: D01664Help
Entry
D01664                      Drug                                   

Name
Omoconazole nitrate (JAN/USAN)
Formula
C20H17Cl3N2O2. HNO3
Exact mass
485.0312
Mol weight
486.733
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal
Remark
ATC code: 
Drug group: 
Target
sterol 14alpha-demethylase ihibitor [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis  
 
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
     D01AC13 Omoconazole
      D01664  Omoconazole nitrate (JAN/USAN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF16 Omoconazole
      D01664  Omoconazole nitrate (JAN/USAN)
Antiinfectives [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   sterol 14alpha-demethylase inhibitor
    Imidazoles
     Omoconazole
      D01664  Omoconazole nitrate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
83621-06-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C8y C    35.7222  -17.9129
            2   C2c C    35.7222  -16.5085
            3   C8y C    34.5052  -18.6151
            4   C8x C    36.9452  -18.6151
            5   O2a O    34.5110  -15.8005
            6   C8x C    34.5052  -20.0195
            7   X   Cl   33.2763  -17.9129
            8   C8x C    36.9452  -20.0195
            9   C1b C    33.2940  -16.5085
            10  C8y C    35.7222  -20.7275
            11  X   Cl   35.7105  -22.1261
            12  C1b C    32.0793  -15.8124
            13  O2a O    30.8692  -16.5165
            14  C8y C    29.6546  -15.8204
            15  C8x C    29.6539  -14.4264
            16  C8x C    28.4392  -13.7305
            17  C8y C    27.2292  -14.4344
            18  C8x C    27.2338  -15.8343
            19  C8x C    28.4484  -16.5304
            20  X   Cl   26.0144  -13.7383
            21  C2c C    36.8317  -15.8354
            22  N4y N    36.8178  -14.4296
            23  C1a C    38.0467  -16.5308
            24  C8x C    37.9483  -13.5911
            25  C8x C    37.5001  -12.2569
            26  N5x N    36.0927  -12.2707
            27  C8x C    35.6710  -13.6136
            28  N2b N    29.7807  -20.9237 #+
            29  O1b O    28.5710  -21.6165
            30  O3a O    29.7513  -19.4753
            31  O3a O    30.9905  -21.6281 #-
BOND        32
            1     1   4 1
            2     2   5 1
            3     3   6 1
            4     3   7 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  18 1
            9    18  19 2
            10   19  14 1
            11    4   8 2
            12   17  20 1
            13    5   9 1
            14    2  21 2
            15    6  10 2
            16   10  11 1
            17    8  10 1
            18    9  12 1
            19   21  22 1
            20   21  23 1
            21   12  13 1
            22    1   2 1
            23   13  14 1
            24    1   3 2
            25   22  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   28  29 1
            31   28  30 2
            32   28  31 1

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