KEGG   DRUG: DiethazineHelp
Entry
D07823                      Drug                                   

Name
Diethazine (INN)
Formula
C18H22N2S
Exact mass
298.1504
Mol weight
298.4457
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01921
Efficacy
Antiparkinsonian, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D07823  Diethazine (INN)
BRITE hierarchy
Other DBs
CAS: 60-91-3
PubChem: 96024520
ChEMBL: CHEMBL1620412
LigandBox: D07823
NIKKAJI: J4.810K
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    25.3400  -19.3200
            2   C8y C    25.3400  -20.7200
            3   C8x C    26.5300  -21.4200
            4   C8x C    27.7900  -20.7200
            5   C8x C    27.7900  -19.3200
            6   C8x C    26.5300  -18.6200
            7   N1y N    24.1500  -18.6200
            8   C8y C    22.8900  -19.3200
            9   C8y C    22.8900  -20.7200
            10  S2x S    24.1500  -21.4200
            11  C8x C    21.7000  -18.6200
            12  C8x C    20.5100  -19.3200
            13  C8x C    20.5100  -20.7200
            14  C8x C    21.7000  -21.4200
            15  C1b C    24.1500  -17.2200
            16  C1b C    25.3400  -16.5200
            17  N1c N    25.3400  -15.1200
            18  C1b C    26.5300  -14.4200
            19  C1b C    24.1500  -14.4200
            20  C1a C    27.7900  -15.1200
            21  C1a C    22.9600  -15.1200
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    7  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   17  19 1
            22   18  20 1
            23   19  21 1

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