KEGG   DRUG: Difeterol hydrochloride
Entry
D01701                      Drug                                   
Name
Difeterol hydrochloride (JAN)
Formula
C25H29NO2. HCl
Exact mass
411.1965
Mol weight
411.9642
Structure
Simcomp
Remark
Chemical structure group: DG02077
Efficacy
Antihistaminic
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Difeterol
    D01701  Difeterol hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01701  Difeterol hydrochloride (JAN)
Other DBs
CAS: 31348-66-0
PubChem: 7848764
ChEBI: 31482
LigandBox: D01701
KCF data

ATOM        29
            1   C1c C    28.1858  -19.2301
            2   C8y C    29.3944  -19.9248
            3   C8y C    26.9714  -19.9248
            4   O2a O    28.1858  -17.8813
            5   C8x C    29.3944  -21.3321
            6   C8x C    30.5972  -19.2301
            7   C8x C    26.9714  -21.3262
            8   C8x C    25.7568  -19.2301
            9   C1b C    29.3944  -17.1340
            10  C8x C    30.5972  -22.0385
            11  C8x C    31.8175  -19.9248
            12  C8x C    25.7568  -22.0327
            13  C8x C    24.5424  -19.9308
            14  C8x C    31.8175  -21.3321
            15  C8x C    24.5424  -21.3321
            16  C1b C    30.6284  -17.8217
            17  N1c N    31.8402  -17.0969
            18  C1c C    33.0635  -17.7782
            19  C1a C    31.8182  -15.6804
            20  C1c C    34.2468  -17.0703
            21  C1a C    33.0151  -19.1793
            22  C8y C    35.4611  -17.7466
            23  O1a O    34.2252  -15.6800
            24  C8x C    35.4825  -19.1800
            25  C8x C    36.7053  -19.8618
            26  C8x C    37.9071  -19.1437
            27  C8x C    37.9557  -17.7104
            28  C8x C    36.6629  -17.0286
            29  X   Cl   37.1590  -21.3873
BOND        30
            1     5  10 2
            2     6  11 1
            3     7  12 1
            4     8  13 2
            5    10  14 1
            6    12  15 2
            7    11  14 2
            8    13  15 1
            9     1   2 1
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 2
            14    3   7 2
            15    3   8 1
            16    4   9 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   18  20 1
            22   18  21 1
            23   20  22 1
            24   20  23 1
            25   22  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   22  28 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

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