KEGG   DRUG: Etozolin
Entry
D04111                      Drug                                   

Name
Etozolin (USAN/INN)
Formula
C13H20N2O3S
Exact mass
284.1195
Mol weight
284.3745
Structure
Simcomp
Class
Cardiovascular agent
 DG01748  Loop diuretic
Remark
ATC code: C03CX01
Efficacy
Diuretic
Comment
Loop diuretic
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03C HIGH-CEILING DIURETICS
    C03CX Other high-ceiling diuretics
     C03CX01 Etozolin
      D04111  Etozolin (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01748  Loop diuretic
   D04111  Etozolin
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D04111  Etozolin (USAN/INN)
    SLC12A2 (NKCC1)
     D04111  Etozolin (USAN/INN)
Other DBs
CAS: 73-09-6
PubChem: 47206061
LigandBox: D04111
NIKKAJI: J5.256F
LinkDB
KCF data

ATOM        19
            1   C2y C     9.9400  -19.0400
            2   N1y N     9.9400  -20.4400
            3   C5x C    11.2700  -20.8600
            4   C1y C    12.1100  -19.7400
            5   S2x S    11.2700  -18.6200
            6   N1y N    13.5100  -19.7400
            7   C1x C    14.2100  -20.9300
            8   C1x C    15.6100  -20.9300
            9   C1x C    16.3100  -19.7400
            10  C1x C    15.6100  -18.5500
            11  C1x C    14.2100  -18.5500
            12  O5x O    11.6900  -22.1900
            13  C1a C     8.8200  -21.2800
            14  C2b C     8.7500  -18.3400
            15  C7a C     7.5600  -19.0400
            16  O7a O     6.3700  -18.3400
            17  O6a O     7.5600  -20.4400
            18  C1b C     5.1800  -19.0400
            19  C1a C     3.9900  -18.3400
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    6  11 1
            13    3  12 2
            14    2  13 1
            15   14   1 2
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 1

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