KEGG   DRUG: Bretylium tosylate
Entry
D00645                      Drug                                   
Name
Bretylium tosylate (USP);
Bretylium tosilate (INN);
Bretylol (TN)
Formula
C11H17BrN. C7H7O3S
Exact mass
413.066
Mol weight
414.3571
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Remark
ATC code: C01BD02
Efficacy
Antiarrhythmic
Comment
Prophylaxis and therapy of ventricular fibrillation
Target
ATP1A [HSA:476 477 478 480] [KO:K01539]
  Pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
Interaction
Structure map
map07037  Antiarrhythmic drugs
map07232  Potassium channel blocking and opening drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BD Antiarrhythmics, class III
     C01BD02 Bretylium tosilate
      D00645  Bretylium tosylate (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    D00645  Bretylium tosylate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D00645  Bretylium tosylate (USP)
Other DBs
CAS: 61-75-6
PubChem: 7847711
ChEBI: 3173
LigandBox: D00645
NIKKAJI: J231.267K
KCF data

ATOM        24
            1   C8y C    19.9923  -17.0043
            2   C8y C    21.1873  -17.6922
            3   C1b C    18.8031  -17.6922
            4   C8x C    19.9923  -15.6285
            5   C8x C    22.3707  -17.0043
            6   X   Br   21.1933  -19.0680
            7   N1d N    17.6197  -17.0043 #+
            8   C8x C    21.1873  -14.9463
            9   C8x C    22.3707  -15.6285
            10  C1b C    16.4246  -17.6922
            11  C1a C    17.6197  -15.6285
            12  C1a C    17.6430  -18.6948
            13  C1a C    15.2353  -17.0043
            14  C8y C    25.8511  -16.6895
            15  C8x C    24.6327  -17.3890
            16  C8x C    27.0636  -17.3890
            17  S4a S    25.8336  -15.2903
            18  C8x C    24.6327  -18.7880
            19  C8x C    27.0636  -18.7880
            20  O1d O    24.4344  -15.2903
            21  O1d O    27.2386  -15.2903
            22  O1d O    25.8278  -13.8912 #-
            23  C8y C    25.8511  -19.4992
            24  C1a C    25.8569  -20.8984
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 1
            11    7  12 1
            12   10  13 1
            13    8   9 2
            14   14  15 1
            15   14  16 2
            16   14  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 2
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   23  24 1
            24   19  23 2

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   MASSBANK (3)   
   NIKKAJI (1)   
Gene (5)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (4)   
All databases (19)   

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