KEGG   DRUG: Phenyltoloxamine citrate
Entry
D08967                      Drug                                   
Name
Phenyltoloxamine citrate (USP)
Formula
C17H21NO. C6H8O7
Exact mass
447.1893
Mol weight
447.4783
Structure
Simcomp
Efficacy
Analgesic, Antihistaminic, Sedative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08967  Phenyltoloxamine citrate (USP)
Other DBs
CAS: 1176-08-5
PubChem: 96025650
LigandBox: D08967
NIKKAJI: J422.658E
KCF data

ATOM        32
            1   C1d C    32.6278  -15.9417
            2   C1b C    31.4339  -16.6440
            3   C1b C    33.8217  -16.6440
            4   C6a C    33.3301  -14.7478
            5   O1a O    31.9255  -14.7478
            6   C6a C    30.2400  -16.0119
            7   C6a C    33.8217  -18.0486
            8   O6a O    32.6278  -13.5539
            9   O6a O    34.7346  -14.7478
            10  O6a O    28.9759  -16.7142
            11  O6a O    30.2400  -14.6074
            12  O6a O    35.0858  -18.7508
            13  O6a O    32.6278  -18.7508
            14  C8x C    18.3011  -17.0654
            15  C8x C    18.3011  -18.4699
            16  C8x C    19.5175  -19.1722
            17  C8x C    20.7339  -18.4699
            18  C8y C    20.7339  -17.0654
            19  C8x C    19.5175  -16.3631
            20  C1b C    21.9691  -16.3520
            21  C8y C    23.1782  -17.0500
            22  C8x C    23.1786  -18.4695
            23  C8x C    24.3952  -19.1715
            24  C8x C    25.6114  -18.4688
            25  C8x C    25.6109  -17.0492
            26  C8y C    24.3944  -16.3473
            27  O2a O    24.3942  -14.9586
            28  C1b C    23.1903  -14.2637
            29  C1b C    21.9975  -14.9528
            30  N1c N    20.8029  -14.2632
            31  C1a C    19.6095  -14.9525
            32  C1a C    20.8025  -12.8519
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   21  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 1

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (6)   

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