KEGG   COMPOUND: C06832
Entry
C06832                      Compound                               
Name
Astemizole
Formula
C28H31FN4O
Exact mass
458.2482
Mol weight
458.5703
Structure
Remark
Same as: D00234
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
     R06AX11 Astemizole
      D00234  Astemizole (JAN/USP/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    D00234  Astemizole
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D00234  Astemizole
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00234  Astemizole (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00234
Other DBs
CAS: 68844-77-9
PubChem: 9050
ChEBI: 2896
PDB-CCD: XB7[PDBj]
NIKKAJI: J18.595G
KCF data

ATOM        34
            1   N4y N    26.0280  -16.9480
            2   C8y C    27.1575  -17.7630
            3   C8y C    24.8984  -17.7689
            4   C1b C    26.0280  -15.5507
            5   C8y C    26.7383  -19.1021
            6   C8x C    28.5256  -17.4662
            7   N5x N    25.3293  -19.1021
            8   N1b N    23.6816  -17.0760
            9   C8y C    27.2389  -14.8461
            10  C8x C    27.6814  -20.1327
            11  C8x C    29.4747  -18.5083
            12  C1y C    22.4649  -17.7689
            13  C8x C    27.2389  -13.4431
            14  C8x C    28.4557  -15.5507
            15  C8x C    29.0497  -19.8357
            16  C1x C    22.4649  -19.1720
            17  C1x C    21.2597  -17.0760
            18  C8x C    28.4557  -12.7503
            19  C8x C    29.6668  -14.8461
            20  C1x C    21.2597  -19.8766
            21  C1x C    20.0429  -17.7689
            22  C8y C    29.6668  -13.4431
            23  N1y N    20.0429  -19.1720
            24  X   F    30.8777  -12.7503
            25  C1b C    18.8435  -19.8939
            26  C1b C    17.6209  -19.2069
            27  C8y C    16.4215  -19.9232
            28  C8x C    16.4390  -21.3203
            29  C8x C    15.1989  -19.2302
            30  C8x C    15.2338  -22.0306
            31  C8x C    13.9996  -19.9463
            32  C8y C    14.0113  -21.3495
            33  O2a O    12.8061  -22.0539
            34  C1a C    11.5833  -21.3728
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 1
            11    8  12 1
            12    9  13 2
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   12  17 1
            17   13  18 1
            18   14  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   22  24 1
            24   23  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 2
            28   27  29 1
            29   28  30 1
            30   29  31 2
            31   30  32 2
            32   32  33 1
            33   33  34 1
            34    5   7 1
            35   11  15 2
            36   19  22 1
            37   21  23 1
            38   31  32 1

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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