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]
 First-class OTC drugs
  Inorganic and organic chemicals
   Fexofenadine
    D07958  Fexofenadine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Fexofenadine
      D07958  Fexofenadine (INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  ABCB1
   Fexofenadine
    D07958  Fexofenadine (INN)
  ABCC3
   Fexofenadine
    D07958  Fexofenadine (INN)
  OAT1
   Fexofenadine
    D07958  Fexofenadine (INN)
  OAT3
   Fexofenadine
    D07958  Fexofenadine (INN)
  SLCO1A2
   Fexofenadine
    D07958  Fexofenadine (INN)
  SLCO1B1
   Fexofenadine
    D07958  Fexofenadine (INN)
  SLCO1B3
   Fexofenadine
    D07958  Fexofenadine (INN)
  SLCO2B1
   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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