KEGG   DRUG: Guanethidine sulfate
Entry
D02237                      Drug                                   

Name
Guanethidine sulfate (USAN)
Formula
(C10H22N4)2. H2SO4
Exact mass
494.3363
Mol weight
494.6954
Structure
Class
Cardiovascular agent
 DG01739  Peripherally-acting antiadrenergic
Remark
ATC code: C02CC02 S01EX01
Chemical structure group: DG00258
Efficacy
Antihypertensive, Noradrenaline release inhibitor
Comment
Guanidine derivative
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02C ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
    C02CC Guanidine derivatives
     C02CC02 Guanethidine
      D02237  Guanethidine sulfate (USAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EX Other antiglaucoma preparations
     S01EX01 Guanethidine
      D02237  Guanethidine sulfate (USAN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D02237  Guanethidine sulfate (USAN)
Other DBs
CAS: 60-02-6
PubChem: 7849296
ChEBI: 51017
ChEMBL: CHEMBL2051958
DrugBank: DB01170
LigandBox: D02237
NIKKAJI: J231.279D
LinkDB
KCF data

ATOM        33
            1   N1y N    21.4998  -15.4594
            2   C1b C    20.2881  -14.7604
            3   C1x C    21.4998  -16.9041
            4   C1x C    22.5250  -14.4341
            5   C1b C    19.1231  -15.4594
            6   C1x C    22.4784  -17.8828
            7   C1x C    23.9230  -14.4341
            8   N1b N    17.9581  -14.7604
            9   C1x C    23.9230  -17.8828
            10  C1x C    24.9017  -15.4128
            11  C2c C    16.7464  -15.4594
            12  C1x C    24.9017  -16.9041
            13  N1a N    15.5813  -14.7604
            14  N2a N    16.7464  -16.8109
            15  S4a S    30.1701  -16.4848
            16  O1d O    30.1701  -15.0862
            17  O1d O    30.1701  -17.8833
            18  O1d O    31.5686  -16.4848
            19  O1d O    28.7716  -16.4848
            20  N1y N    21.4998  -15.4594
            21  C1b C    20.2881  -14.7604
            22  C1b C    19.1231  -15.4594
            23  N1b N    17.9581  -14.7604
            24  C2c C    16.7464  -15.4594
            25  N1a N    15.5813  -14.7604
            26  N2a N    16.7464  -16.8109
            27  C1x C    21.4998  -16.9041
            28  C1x C    22.4784  -17.8828
            29  C1x C    23.9230  -17.8828
            30  C1x C    24.9017  -16.9041
            31  C1x C    24.9017  -15.4128
            32  C1x C    23.9230  -14.4341
            33  C1x C    22.5250  -14.4341
BOND        32
            1    15  16 2
            2    15  17 2
            3    15  18 1
            4    15  19 1
            5     1   2 1
            6     1   3 1
            7     1   4 1
            8     2   5 1
            9     3   6 1
            10    4   7 1
            11    5   8 1
            12    6   9 1
            13    7  10 1
            14    8  11 1
            15    9  12 1
            16   11  13 1
            17   11  14 2
            18   10  12 1
            19   20  21 1
            20   20  27 1
            21   20  33 1
            22   21  22 1
            23   27  28 1
            24   33  32 1
            25   22  23 1
            26   28  29 1
            27   32  31 1
            28   23  24 1
            29   29  30 1
            30   24  25 1
            31   24  26 2
            32   31  30 1
BRACKET     1    13.5100  -18.6900   13.5100  -13.0200
            1    25.3400  -13.0200   25.3400  -18.6900
            1  2
 ORIGINAL  1    1   2   5   8  11  13  14   3   6   9  12  10   7   4
 REPEAT    1   20  21  22  23  24  25  26  27  28  29  30  31  32  33

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