KEGG   DRUG: Bethanidine sulfateHelp
Entry
D01603                      Drug                                   

Name
Bethanidine sulfate (JAN/USAN);
Tenathan (TN)
Formula
(C10H16N3)2. SO4
Exact mass
452.2206
Mol weight
452.5709
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01739  Peripherally-acting antiadrenergic
Remark
ATC code: C02CC01
Efficacy
Antihypertensive
Comment
Guanidine derivative
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
KCNJ1 [HSA:3758] [KO:K04995]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02C ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
    C02CC Guanidine derivatives
     C02CC01 Betanidine
      D01603  Bethanidine sulfate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D01603  Bethanidine sulfate (JAN/USAN)
 Ion channels
  Voltage-gated ion channels
   Inward rectifier channels (Kir)
    KCNJ1
     D01603  Bethanidine sulfate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 114-85-2
PubChem: 7848666
ChEBI: 31279
ChEMBL: CHEMBL2110368
DrugBank: DB00217
LigandBox: D01603
NIKKAJI: J388.816I
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    15.8015  -17.8197
            2   C8x C    15.8015  -19.2199
            3   C8x C    17.0170  -19.9200
            4   C8x C    18.2254  -19.2199
            5   C8y C    18.2254  -17.8197
            6   C8x C    17.0170  -17.1196
            7   C1b C    19.4384  -17.1206
            8   N2b N    19.4396  -15.7205
            9   C2c C    20.6526  -15.0212
            10  N1b N    20.6538  -13.6210 #+
            11  N1b N    21.8647  -15.7222
            12  C1a C    23.0779  -15.0229
            13  C1a C    19.4517  -12.9260
            14  O1d O    26.3956  -15.6926 #-
            15  S4a S    27.7955  -15.6926
            16  O1d O    27.7884  -14.2926
            17  O1d O    29.1955  -15.6926 #-
            18  O1d O    27.7884  -17.0926
            19  C8x C    15.8015  -17.8197
            20  C8x C    15.8015  -19.2199
            21  C8x C    17.0170  -19.9200
            22  C8x C    18.2254  -19.2199
            23  C8y C    18.2254  -17.8197
            24  C1b C    19.4384  -17.1206
            25  N2b N    19.4396  -15.7205
            26  C2c C    20.6526  -15.0212
            27  N1b N    20.6538  -13.6210 #+
            28  C1a C    19.4517  -12.9260
            29  N1b N    21.8647  -15.7222
            30  C1a C    23.0779  -15.0229
            31  C8x C    17.0170  -17.1196
BOND        30
            1    14  15 1
            2    15  16 2
            3    15  17 1
            4    15  18 2
            5     5   7 1
            6     7   8 1
            7     8   9 2
            8     1   2 2
            9     9  10 1
            10    2   3 1
            11    3   4 2
            12    9  11 1
            13    4   5 1
            14    5   6 2
            15    6   1 1
            16   11  12 1
            17   10  13 1
            18   23  24 1
            19   24  25 1
            20   25  26 2
            21   19  20 2
            22   26  27 1
            23   20  21 1
            24   21  22 2
            25   26  29 1
            26   22  23 1
            27   23  31 2
            28   31  19 1
            29   29  30 1
            30   27  28 1
BRACKET     1    15.4700  -20.0900   15.4700  -12.2500
            1    24.9200  -12.2500   24.9200  -20.0900
            1  2
 ORIGINAL  1    1   2   3   4   5   7   8   9  10  13  11  12   6
 REPEAT    1   19  20  21  22  23  24  25  26  27  28  29  30  31

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