KEGG   DRUG: SertaconazoleHelp
Entry
D06883                      Drug                                   

Name
Sertaconazole (INN)
Formula
C20H15Cl3N2OS
Exact mass
435.9971
Mol weight
437.7699
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
ATC code: D01AC14 G01AF19
Chemical structure group: DG00370
Product (DG00370): D08510<US>
Efficacy
Antifungal
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
Interaction
Drug interaction
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
     D01AC14 Sertaconazole
      D06883  Sertaconazole (INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF19 Sertaconazole
      D06883  Sertaconazole (INN)
USP drug classification [BR:br08302]
 Antifungals
  Sertaconazole
   D06883  Sertaconazole (INN)
BRITE hierarchy
Other DBs
CAS: 99592-32-2
PubChem: 49661783
ChEBI: 82866
ChEMBL: CHEMBL1201196
DrugBank: DB01153
LigandBox: D06883
NIKKAJI: J369.930G
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C     8.6800   -7.5600
            2   C8x C     8.6800   -8.9600
            3   C8y C     9.8924   -9.6600
            4   C8y C    11.1049   -8.9600
            5   C8x C    11.1049   -7.5600
            6   C8x C     9.8924   -6.8600
            7   X   Cl    7.4676   -6.8600
            8   X   Cl    9.8924  -11.0598
            9   C1c C    12.3360   -9.6710
            10  O2a O    13.5412   -8.9753
            11  C1b C    14.7235   -9.6581
            12  C1b C    12.3357  -11.0599
            13  N4y N    13.5362  -11.7534
            14  C8x C    13.9436  -13.0912
            15  N5x N    15.3469  -13.1170
            16  C8x C    15.8052  -11.7903
            17  C8x C    14.6851  -10.9446
            18  C8y C    15.9175   -8.9688
            19  C8y C    17.0349   -9.7657
            20  C8y C    18.1339   -8.9455
            21  S2x S    17.6934   -7.6468
            22  C8x C    16.3222   -7.6644
            23  C8x C    17.1013  -10.9898
            24  C8x C    18.3086  -11.6986
            25  C8x C    19.5012  -11.0216
            26  C8y C    19.5113   -9.6216
            27  X   Cl   20.7300   -8.8689
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     3   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    9  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   13  17 1
            19   11  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   18  22 2
            25   19  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   20  26 2
            30   26  27 1

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