KEGG   DRUG: D05742Help
Entry
D05742                      Drug                                   

Name
Rocastine hydrochloride (USAN)
Formula
C13H19N3OS. HCl. H2O
Exact mass
319.1121
Mol weight
319.8507
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminic
Remark
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Rocastine
      D05742  Rocastine hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
99617-35-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        20
            1   X   Cl   39.0600  -15.3300
            2   O0  O    39.5500  -16.9400
            3   C2y C    32.1300  -15.8200
            4   C8y C    31.2900  -14.7000
            5   C8y C    31.6400  -13.3700
            6   O2x O    32.9000  -12.8100
            7   N1y N    33.5300  -15.8200
            8   C1y C    34.1600  -13.4400
            9   C1x C    34.4400  -14.7700
            10  N5x N    30.5900  -12.3900
            11  C8x C    29.2600  -12.8100
            12  C8x C    28.9100  -14.1400
            13  C8x C    29.9600  -15.1200
            14  S0  S    31.5000  -17.0800
            15  C1a C    34.2300  -17.0324
            16  C1b C    35.2706  -12.5831
            17  C1b C    36.4919  -13.3009
            18  N1c N    37.7489  -12.5884
            19  C1a C    38.9466  -13.2928
            20  C1a C    37.7598  -11.2003
BOND        19
            1     5   6 1
            2     3   7 1
            3     6   8 1
            4     4   5 1
            5     7   9 1
            6     3   4 1
            7     8   9 1
            8     5  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12    4  13 2
            13    3  14 2
            14    7  15 1
            15    8  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1

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