KEGG   DRUG: Pyrrobutamine
Entry
D07403                      Drug                                   
Name
Pyrrobutamine (BAN)
Formula
C20H22ClN
Exact mass
311.1441
Mol weight
311.8484
Structure
Remark
ATC code: R06AX08
Efficacy
Antiallergic
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX08 Pyrrobutamine
      D07403  Pyrrobutamine (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07403  Pyrrobutamine (BAN)
Other DBs
CAS: 91-82-7
PubChem: 51091739
LigandBox: D07403
NIKKAJI: J4.644B
LinkDB
KCF data

ATOM        22
            1   C8x C    11.2000  -19.8100
            2   C8x C    11.2000  -21.2100
            3   C8x C    12.4124  -21.9100
            4   C8y C    13.6249  -21.2100
            5   C8x C    13.6249  -19.8100
            6   C8x C    12.4124  -19.1100
            7   C2c C    14.8624  -21.9100
            8   C1b C    16.0749  -21.2100
            9   C8y C    17.2873  -21.9100
            10  C8x C    17.2873  -23.3100
            11  C8x C    18.4997  -24.0100
            12  C8y C    19.7122  -23.3100
            13  C8x C    19.7122  -21.9100
            14  C8x C    18.4997  -21.2100
            15  X   Cl   20.9453  -24.0222
            16  C2b C    14.8686  -23.3097
            17  C1b C    16.0625  -23.9923
            18  N1y N    16.0625  -25.3923
            19  C1x C    14.9003  -26.2369
            20  C1x C    15.3444  -27.6032
            21  C1x C    16.7811  -27.6031
            22  C1x C    17.2249  -26.2367
BOND        24
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17    7  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   18  22 1

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