KEGG   COMPOUND: C07778Help
Entry
C07778                      Compound                               

Name
Cetirizine
Formula
C21H25ClN2O3
Exact mass
388.1554
Mol weight
388.8878
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AE Piperazine derivatives
     R06AE07 Cetirizine
      D07662  Cetirizine (INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Cetirizine
    D07662  Cetirizine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Cetirizine
    D07662  Cetirizine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Cetirizine
      D07662  Cetirizine (INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter inhibitors
  SLC22A2
   Cetirizine
    D07662  Cetirizine (INN)
 Transporter substrates
  ABCB1
   Cetirizine
    D07662  Cetirizine (INN)
  SLC22A2
   Cetirizine
    D07662  Cetirizine (INN)
BRITE hierarchy
Other DBs
CAS: 
83881-51-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8x C    22.3426  -18.4562
            2   C8y C    22.3426  -19.8593
            3   C8x C    23.5576  -20.5608
            4   C8x C    24.7728  -19.8593
            5   C8y C    24.7728  -18.4562
            6   C8x C    23.5576  -17.7547
            7   C8x C    27.2029  -19.8593
            8   C8y C    27.2029  -18.4562
            9   C1c C    25.9878  -17.7547
            10  C8x C    28.4180  -20.5608
            11  C8x C    29.6330  -19.8593
            12  C8x C    29.6330  -18.4562
            13  C8x C    28.4180  -17.7547
            14  N1y N    25.9878  -16.3516
            15  C1x C    27.2050  -15.6489
            16  C1x C    27.2050  -14.2458
            17  N1y N    25.9898  -13.5443
            18  C1x C    24.7728  -14.2470
            19  C1x C    24.7728  -15.6501
            20  X   Cl   21.1276  -20.5608
            21  C1b C    25.9898  -12.1424
            22  C1b C    27.2055  -11.4407
            23  O2a O    28.4038  -12.1326
            24  C1b C    29.5935  -11.4459
            25  C6a C    30.7875  -12.1353
            26  O6a O    31.9795  -11.4472
            27  O6a O    30.7875  -13.5452
BOND        29
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22    2  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2

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