KEGG   COMPOUND: C06855
Entry
C06855                      Compound                               

Name
Bretylium
Formula
C11H17BrN
Exact mass
242.0544
Mol weight
243.1634
Structure
Pathway
map07037  Antiarrhythmic drugs
map07232  Potassium channel blocking and opening drugs
Other DBs
CAS: 59-41-6
PubChem: 9073
ChEBI: 3172
ChEMBL: CHEMBL1199080
NIKKAJI: J4.602G
LinkDB
KCF data

ATOM        13
            1   C8y C    25.6262  -15.1491
            2   C8y C    26.8227  -15.8378
            3   C1b C    24.4355  -15.8378
            4   C8x C    25.6262  -13.7717
            5   C8x C    28.0075  -15.1491
            6   X   Br   26.8284  -17.2152
            7   N1d N    23.2507  -15.1491 #+
            8   C8x C    26.8227  -13.0890
            9   C8x C    28.0075  -13.7717
            10  C1b C    22.0543  -15.8378
            11  C1a C    23.2507  -13.7717
            12  C1a C    23.2741  -16.8417
            13  C1a C    20.8638  -15.1491
BOND        13
            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

» Japanese version

KEGG   DRUG: Bretylium tosylate
Entry
D00645                      Drug                                   

Name
Bretylium tosylate (USP);
Bretylium tosilate (INN);
Bretylol (TN)
Product
  Generic
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
Product: D00645<US>
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) <US>
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D00645  Bretylium tosylate (USP) <US>
Other DBs
CAS: 61-75-6
PubChem: 7847711
ChEBI: 3173
ChEMBL: CHEMBL1095292
DrugBank: DB01158
LigandBox: D00645
NIKKAJI: J231.267K
LinkDB
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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