KEGG   COMPOUND: C07464Help
Entry
C07464                      Compound                               

Name
Ketanserin
Formula
C22H22FN3O3
Exact mass
395.1645
Mol weight
395.4268
Structure
Mol fileKCF fileDB search
Remark
Same as: D02363
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02K OTHER ANTIHYPERTENSIVES
    C02KD Serotonin antagonists
     C02KD01 Ketanserin
      D02363  Ketanserin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2A
     D02363  Ketanserin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 74050-98-9
PubChem: 9667
ChEBI: 6123
ChEMBL: CHEMBL51
NIKKAJI: J12.099E
KCF data Show

ATOM        29
            1   C8y C    38.1500  -14.7000
            2   C8y C    38.1500  -16.1000
            3   N4x N    36.9600  -14.0000
            4   C8x C    39.3400  -14.0000
            5   C8y C    36.9600  -16.8000
            6   C8x C    39.3400  -16.8000
            7   C8y C    35.7000  -14.7000
            8   C8x C    40.6000  -14.7000
            9   N4y N    35.7000  -16.1000
            10  O5x O    36.9600  -18.2000
            11  C8x C    40.6000  -16.1000
            12  O5x O    34.5100  -14.0000
            13  C1b C    34.5100  -16.8000
            14  C1b C    33.3200  -16.1000
            15  N1y N    32.0600  -16.8000
            16  C1x C    30.8700  -16.1000
            17  C1x C    32.0600  -18.2000
            18  C1x C    29.6800  -16.8000
            19  C1x C    30.8700  -18.9000
            20  C1y C    29.6800  -18.2000
            21  C5a C    28.4200  -18.9000
            22  O5a O    28.4200  -20.3000
            23  C8y C    27.2300  -18.2000
            24  C8x C    27.2300  -16.8000
            25  C8x C    26.0400  -16.1000
            26  C8y C    24.8500  -16.8000
            27  C8x C    24.8500  -18.2000
            28  C8x C    26.0400  -18.9000
            29  X   F    23.5900  -16.1000
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20    7   9 1
            21    8  11 2
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1

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