KEGG   COMPOUND: C06999Help
Entry
C06999                      Compound                               

Name
Fexofenadine;
4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid
Formula
C32H39NO4
Exact mass
501.2879
Mol weight
501.6564
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Pathway
Bile secretion
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
     R06AX26 Fexofenadine
      D07958  Fexofenadine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Drugs requiring guidance
  New approved (switch) OTC drugs
   Fexofenadine
    D07958  Fexofenadine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Fexofenadine
      D07958  Fexofenadine (INN)
BRITE hierarchy
Other DBs
CAS: 
83799-24-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C8x C    24.0878  -18.8016
            2   C8x C    24.0878  -20.2039
            3   C8x C    25.3021  -20.9050
            4   C8x C    26.5166  -20.2039
            5   C8y C    26.5166  -18.8016
            6   C8x C    25.3021  -18.1005
            7   C8x C    28.9454  -20.2039
            8   C8y C    28.9454  -18.8016
            9   C1d C    27.7310  -18.1005
            10  C8x C    30.1598  -20.9050
            11  C8x C    31.3742  -20.2039
            12  C8x C    31.3742  -18.8016
            13  C8x C    30.1598  -18.1005
            14  C1y C    27.7310  -16.6982
            15  C1x C    28.9475  -15.9959
            16  C1x C    28.9475  -14.5936
            17  N1y N    27.7330  -13.8924
            18  C1x C    26.5166  -14.5948
            19  C1x C    26.5166  -15.9971
            20  O1a O    26.5166  -17.3993
            21  C1b C    27.7330  -12.4914
            22  C1b C    28.9480  -11.7899
            23  C1b C    30.1456  -12.4815
            24  C1c C    31.3347  -11.7951
            25  C8y C    32.5280  -12.4842
            26  O1a O    31.3349  -10.3881
            27  C8x C    32.5280  -13.8933
            28  C8x C    33.7424  -14.5946
            29  C8y C    34.9567  -13.8934
            30  C8x C    34.9568  -12.4843
            31  C8x C    33.7425  -11.7831
            32  C1d C    36.1702  -14.5941
            33  C6a C    37.3671  -13.9029
            34  O6a O    38.5566  -14.5898
            35  O6a O    37.3672  -12.4917
            36  C1a C    35.1787  -15.5857
            37  C1a C    37.1618  -15.5857
BOND        40
            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    9  20 1
            23   17  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   25  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   29  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2
            39   32  36 1
            40   32  37 1

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