KEGG   DRUG: D02204Help
Entry
D02204                      Drug                                   

Name
Hexamethonium bromide (JAN/INN);
Hexamethonium bromide (TN)
Formula
C12H30N2. 2Br
Exact mass
360.0776
Mol weight
362.188
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
ganglionic blocking drug
Target
neuronal-type nicotinic cholinergic receptor antagonist [HSA:1135 1136 1137 1138 8973 1139 55584 57053 1141 1142 1143] [KO:K04804 K04805 K04806 K04807 K04808 K04809 K04810 K04811 K04813 K04814 K04815]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Structure map
Nicotinic cholinergic receptor antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    neuronal-type nicotinic cholinergic receptor
     Hexamethonium
      D02204  Hexamethonium bromide (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
55-97-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C1a C    18.2851  -15.8196
            2   N1d N    19.5003  -16.5207 #+
            3   C1b C    20.7156  -15.8196
            4   C1b C    21.9309  -16.5207
            5   C1b C    23.1461  -15.8196
            6   C1b C    24.3614  -16.5207
            7   C1b C    25.5767  -15.8196
            8   C1b C    26.7919  -16.5207
            9   N1d N    27.9605  -15.8196 #+
            10  C1a C    29.1758  -16.5207
            11  C1a C    18.2851  -17.1751
            12  C1a C    20.7156  -17.2218
            13  C1a C    29.3158  -14.9317
            14  C1a C    26.7452  -15.1185
            15  X   Br   31.5470  -15.9134 #-
            16  X   Br   15.1202  -16.5201 #-
BOND        13
            1     2   3 1
            2     7   8 1
            3     8   9 1
            4     3   4 1
            5     9  10 1
            6     2  11 1
            7     4   5 1
            8     2  12 1
            9     1   2 1
            10    9  13 1
            11    5   6 1
            12    9  14 1
            13    6   7 1

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