KEGG   DRUG: HydroxychloroquineHelp
Entry
D08050                      Drug                                   

Name
Hydroxychloroquine (INN);
Polirreumin (TN)
Formula
C18H26ClN3O
Exact mass
335.1764
Mol weight
335.8715
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C07043
ATC code: P01BA02
Chemical structure group: DG01015
Product (DG01015): D02114<JP/US>
Efficacy
Antimalarial
Comment
Aminoquinoline derivative
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA02 Hydroxychloroquine
      D08050  Hydroxychloroquine (INN)
BRITE hierarchy
Other DBs
CAS: 118-42-3
PubChem: 96024743
ChEBI: 5801
ChEMBL: CHEMBL1535
DrugBank: DB01611
LigandBox: D08050
NIKKAJI: J5.298A
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    18.1300  -19.3200
            2   C8y C    18.1300  -20.7200
            3   C8x C    19.3200  -21.4200
            4   C8y C    20.5800  -20.7200
            5   C8y C    20.5800  -19.3200
            6   C8x C    19.3200  -18.6200
            7   N5x N    21.7700  -21.4200
            8   C8x C    23.0300  -20.7200
            9   C8x C    23.0300  -19.3200
            10  C8y C    21.7700  -18.6200
            11  X   Cl   16.9400  -21.4200
            12  N1b N    21.7700  -17.2200
            13  C1c C    23.0300  -16.5200
            14  C1b C    24.2200  -17.2200
            15  C1a C    23.0300  -15.1200
            16  C1b C    25.4100  -16.5200
            17  C1b C    26.6000  -17.2200
            18  N1c N    27.7900  -16.5200
            19  C1b C    28.9800  -17.2200
            20  C1b C    30.1700  -16.5200
            21  O1a O    31.3600  -17.2200
            22  C1b C    27.7900  -15.1200
            23  C1a C    28.9800  -14.4200
BOND        24
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   18  22 1
            24   22  23 1

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