KEGG   DRUG: ChloroquineHelp
Entry
D02366                      Drug                                   

Name
Chloroquine (USP/INN)
Formula
C18H26ClN3
Exact mass
319.1815
Mol weight
319.8721
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C07625
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Amebicide
Comment
Aminoquinoline derivative
Interaction
Drug interaction
Structure map
map07025  Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BA Aminoquinolines
     P01BA01 Chloroquine
      D02366  Chloroquine (USP/INN)
BRITE hierarchy
Other DBs
CAS: 54-05-7
PubChem: 7849425
ChEBI: 3638
ChEMBL: CHEMBL76
DrugBank: DB00608
LigandBox: D02366
NIKKAJI: J107.997B
LinkDB All DBs
KCF data Show

ATOM        22
            1   N1b N    26.3944  -14.2238
            2   C1c C    27.6025  -13.5295
            3   C1b C    28.8103  -14.2296
            4   C1a C    27.6083  -12.1290
            5   C1b C    30.0243  -13.5352
            6   C1b C    31.2262  -14.2355
            7   N1c N    32.4401  -13.5470
            8   C1b C    33.6479  -14.2471
            9   C1b C    32.3758  -12.1464
            10  C1a C    34.8560  -13.5527
            11  C1a C    33.5838  -11.4521
            12  C8y C    26.3921  -15.6502
            13  C8y C    25.1585  -16.3601
            14  C8y C    25.1565  -17.7569
            15  N5x N    26.3651  -18.4570
            16  C8x C    27.5988  -17.7472
            17  C8x C    27.6008  -16.3503
            18  C8x C    23.9488  -15.6617
            19  C8x C    22.7392  -16.3601
            20  C8y C    22.7392  -17.7569
            21  C8x C    23.9488  -18.4553
            22  X   Cl   21.5275  -18.4565
BOND        23
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    1  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   12  17 2
            18   13  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  14 1
            23   20  22 1

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