KEGG   COMPOUND: C07045
Entry
C07045                      Compound                               
Name
Hydroxyzine
Formula
C21H27ClN2O2
Exact mass
374.1761
Mol weight
374.90
Structure
Remark
Same as: D08054
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BB Diphenylmethane derivatives
     N05BB01 Hydroxyzine
      D08054  Hydroxyzine (INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00912  Hydroxyzine
     D08054  Hydroxyzine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D08054  Hydroxyzine (INN)
Other DBs
CAS: 68-88-2
PubChem: 9257
ChEBI: 5818
NIKKAJI: J4.860G
KCF data

ATOM        26
            1   C8x C    21.4200  -18.2700
            2   C8y C    21.4200  -19.6700
            3   C8x C    22.6100  -20.3700
            4   C8x C    23.8700  -19.6700
            5   C8y C    23.8700  -18.2700
            6   C8x C    22.6100  -17.5700
            7   C8x C    26.2500  -19.6700
            8   C8y C    26.2500  -18.2700
            9   C1c C    25.0600  -17.5700
            10  N1y N    25.0600  -16.1700
            11  C1x C    26.2500  -15.4700
            12  C1x C    26.2500  -14.0700
            13  N1y N    25.0600  -13.3700
            14  C1x C    23.8700  -14.0700
            15  C1x C    23.8700  -15.4700
            16  C8x C    27.5100  -20.3700
            17  C8x C    28.7000  -19.6700
            18  C8x C    28.7000  -18.2700
            19  C8x C    27.5100  -17.5700
            20  X   Cl   20.2300  -20.3700
            21  C1b C    25.0600  -11.9700
            22  C1b C    26.2500  -11.2700
            23  O2a O    27.4400  -11.9700
            24  C1b C    28.6300  -11.2700
            25  C1b C    29.8900  -11.9700
            26  O1a O    31.0800  -11.2700
BOND        28
            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    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17    7  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21    8  19 2
            22    2  20 1
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (11)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (6)   
   NIKKAJI (1)   
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