KEGG   DRUG: Econazole nitrateHelp
Entry
D00881                      Drug                                   

Name
Econazole nitrate (JAN/USP);
Ecoza (TN);
Spectazole (TN)
Product
  Generic
Formula
C18H15Cl3N2O. HNO3
Exact mass
443.0206
Mol weight
444.6963
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
Same as: C08069
ATC code: D01AC03 G01AF05
Chemical structure group: DG00363
Product (DG00363): D00881<US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Tinea pedis [DS:H01316]
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]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC03 Econazole
      D00881  Econazole nitrate (JAN/USP) <US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF05 Econazole
      D00881  Econazole nitrate (JAN/USP) <US>
USP drug classification [BR:br08302]
 Antifungals
  Econazole
   D00881  Econazole nitrate (JAN/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D00881  Econazole nitrate (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Econazole
    D00881  Econazole nitrate (JAN/USP)
Rx-to-OTC switch list in Japan [br08314.html]
 D00881
BRITE hierarchy
Other DBs
CAS: 24169-02-6
PubChem: 7847945
ChEBI: 4755
ChEMBL: CHEMBL1201049
DrugBank: DB01127
LigandBox: D00881
NIKKAJI: J244.551D
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    31.4185  -15.4000
            2   C1c C    31.4185  -13.9998
            3   C8y C    30.2051  -16.1001
            4   C8x C    32.6377  -16.1001
            5   C1b C    32.6320  -13.2940
            6   O2a O    30.2109  -13.2940
            7   C8x C    30.2051  -17.5003
            8   X   Cl   28.9799  -15.4000
            9   C8x C    32.6377  -17.5003
            10  N4y N    33.8395  -14.0057
            11  C1b C    28.9975  -13.9998
            12  C8y C    31.4185  -18.2061
            13  C8x C    34.9615  -13.1665
            14  C8x C    34.2804  -15.3203
            15  C8y C    27.7898  -13.2940
            16  X   Cl   31.4068  -19.6006
            17  C8x C    36.0888  -13.9773
            18  N5x N    35.6767  -15.3073
            19  C8x C    26.5822  -13.9998
            20  C8x C    27.7898  -11.8938
            21  C8x C    25.3628  -13.2940
            22  C8x C    26.5822  -11.1937
            23  C8y C    25.3628  -11.8938
            24  X   Cl   24.1435  -11.1937
            25  N2b N    25.4971  -18.0254 #+
            26  O1b O    24.2894  -18.7138
            27  O3a O    25.4912  -16.6252
            28  O3a O    26.7047  -18.7255 #-
BOND        29
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24    9  12 1
            25   17  18 1
            26   22  23 2
            27   25  26 1
            28   25  27 2
            29   25  28 1

» Japanese version   » Back

KEGG   DRUG: EconazoleHelp
Entry
D03936                      Drug                                   

Name
Econazole (USAN/INN)
Formula
C18H15Cl3N2O
Exact mass
380.025
Mol weight
381.6835
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
Same as: C08068
ATC code: D01AC03 G01AF05
Chemical structure group: DG00363
Product (DG00363): D00881<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]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC03 Econazole
      D03936  Econazole (USAN/INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF05 Econazole
      D03936  Econazole (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Econazole
    D03936  Econazole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 27220-47-9
PubChem: 47205924
ChEBI: 4754
ChEMBL: CHEMBL808
DrugBank: DB01127
LigandBox: D03936
NIKKAJI: J10.724G
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    31.4297  -15.4056
            2   C1c C    31.4297  -14.0060
            3   C8y C    30.2168  -16.1054
            4   C8x C    32.6486  -16.1054
            5   C1b C    32.6428  -13.3004
            6   O2a O    30.2225  -13.3004
            7   C8x C    30.2168  -17.5051
            8   X   Cl   28.9921  -15.4056
            9   C8x C    32.6486  -17.5051
            10  N4y N    33.8498  -14.0119
            11  C1b C    29.0097  -14.0060
            12  C8y C    31.4297  -18.2106
            13  C8x C    34.9890  -13.2001
            14  C8x C    34.2628  -15.3382
            15  C8y C    27.8024  -13.3004
            16  X   Cl   31.4180  -19.6046
            17  C8x C    36.0985  -14.0344
            18  N5x N    35.6584  -15.3547
            19  C8x C    26.5952  -14.0060
            20  C8x C    27.8024  -11.9007
            21  C8x C    25.3764  -13.3004
            22  C8x C    26.5952  -11.2009
            23  C8y C    25.3764  -11.9007
            24  X   Cl   24.1575  -11.2009
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24    9  12 1
            25   17  18 1
            26   22  23 2

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