KEGG   DRUG: Sertaconazole nitrate
Entry
D08510                      Drug                                   
Name
Sertaconazole nitrate;
Ertaczo (TN);
Zalain (TN)
Product
ERTACZO (Bausch Health US)
Formula
C20H15Cl3N2OS. HNO3
Exact mass
498.9927
Mol weight
500.7827
Structure
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
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
      D08510  Sertaconazole nitrate <US>
 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
      D08510  Sertaconazole nitrate <US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Topical Anti-infectives
   Antifungals, dermatological
    Sertaconazole
     D08510  Sertaconazole nitrate
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00370  Sertaconazole
    D08510  Sertaconazole nitrate
Drug classes [BR:br08332]
 Antifungal
  DG01883  Imidazole antifungal
   D08510  Sertaconazole nitrate
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D08510  Sertaconazole nitrate <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08510
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08510
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00370  Sertaconazole
Other DBs
CAS: 99592-39-9
PubChem: 96025195
ChEBI: 83687
LigandBox: D08510
LinkDB
KCF data

ATOM        31
            1   C8y C    17.7800  -15.9600
            2   C8x C    17.7800  -17.3600
            3   C8y C    18.9700  -18.0600
            4   C8y C    20.2300  -17.3600
            5   C8x C    20.2300  -15.9600
            6   C8x C    18.9700  -15.2600
            7   X   Cl   16.5200  -15.2600
            8   X   Cl   18.9700  -19.4600
            9   C1c C    21.4200  -18.0600
            10  O2a O    22.6800  -17.3600
            11  C1b C    23.8700  -18.0600
            12  C1b C    21.4200  -19.4600
            13  N4y N    22.6100  -20.1600
            14  C8x C    23.0300  -21.4900
            15  N5x N    24.4300  -21.4900
            16  C8x C    24.9200  -20.1600
            17  C8x C    23.8000  -19.3200
            18  C8y C    25.0600  -17.3600
            19  C8y C    26.1800  -18.1300
            20  C8y C    27.3000  -17.3600
            21  S2x S    26.8100  -16.0300
            22  C8x C    25.4100  -16.0300
            23  C8x C    26.1800  -19.3900
            24  C8x C    27.4400  -20.0900
            25  C8x C    28.6300  -19.3900
            26  C8y C    28.6300  -17.9900
            27  X   Cl   29.8900  -17.2200
            28  N2b N    32.6900  -20.5100 #+
            29  O3a O    32.6900  -19.1100
            30  O3a O    33.8800  -21.2100 #-
            31  O1b O    31.5000  -21.2100
BOND        33
            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
            31   28  29 2
            32   28  30 1
            33   28  31 1

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