KEGG   COMPOUND: C07626Help
Entry
C07626                      Compound                               

Name
Amodiaquine
Formula
C20H22ClN3O
Exact mass
355.1451
Mol weight
355.8612
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA06 Amodiaquine
      D02922  Amodiaquine  (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   histamine N-methyltransferase (HNMT)
    Amodiaquine
     D02922  Amodiaquine  (USAN/INN)
Antiinfectives [BR:br08307]
 Antiparasitics
  Antmalarials
   Others
    Aminoquinolines
     Amodiaquine
      D02922  Amodiaquine  (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C8
   Amodiaquine
    D02922  Amodiaquine  (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
86-42-0
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    18.4252  -17.2685
            2   C8y C    19.6414  -16.5726
            3   C8y C    17.2148  -16.5668
            4   C8x C    18.4193  -18.6660
            5   N1b N    20.8519  -17.2743
            6   C8x C    19.6474  -15.1751
            7   C8x C    15.9985  -17.2626
            8   N5x N    17.2205  -15.1634
            9   C8x C    17.2088  -19.3620
            10  C8y C    22.0566  -16.5785
            11  C8x C    18.4369  -14.4676
            12  C8y C    15.9985  -18.6660
            13  C8x C    23.2728  -17.2743
            14  C8x C    22.0449  -15.1808
            15  X   Cl   14.7881  -19.3620
            16  C8y C    24.4775  -16.5668
            17  C8x C    23.2553  -14.4734
            18  C1b C    25.6937  -17.2977
            19  C8y C    24.4716  -15.1691
            20  N1c N    26.9099  -16.6019
            21  O1a O    25.6820  -14.4617
            22  C1b C    28.1204  -17.3036
            23  C1b C    26.8459  -15.1985
            24  C1a C    29.3308  -16.6077
            25  C1a C    28.0563  -14.5025
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 2
            14   12  15 1
            15   13  16 2
            16   14  17 1
            17   16  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1
            25    8  11 2
            26    9  12 1
            27   17  19 2

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