KEGG   DRUG: Chloroquine hydrochloride
Entry
D03469                      Drug                                   

Name
Chloroquine hydrochloride (USP);
Aralen hydrochloride (TN)
Formula
C18H26ClN3. 2HCl
Exact mass
391.1349
Mol weight
392.794
Structure
Simcomp
Remark
ATC code: P01BA01
Chemical structure group: DG01014
Product (DG01014): D02125<US>
Efficacy
Antimalarial, Amebicide
Comment
Aminoquinoline derivative
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
      D03469  Chloroquine hydrochloride (USP)
Other DBs
CAS: 3545-67-3
PubChem: 17397607
ChEMBL: CHEMBL4297165
DrugBank: DB00608
LigandBox: D03469
NIKKAJI: J383.162K
LinkDB
KCF data

ATOM        24
            1   X   Cl   33.2635  -16.9756
            2   N1b N    26.3943  -14.2238
            3   C1c C    27.6024  -13.5295
            4   C1b C    28.8102  -14.2296
            5   C1a C    27.6082  -12.1290
            6   C1b C    30.0242  -13.5352
            7   C1b C    31.2261  -14.2355
            8   N1c N    32.4400  -13.5470
            9   C1b C    33.6478  -14.2471
            10  C1b C    32.3757  -12.1464
            11  C1a C    34.8559  -13.5527
            12  C1a C    33.5837  -11.4521
            13  C8y C    26.3920  -15.6501
            14  C8y C    25.1585  -16.3600
            15  C8y C    25.1565  -17.7568
            16  N5x N    26.3650  -18.4569
            17  C8x C    27.5987  -17.7471
            18  C8x C    27.6007  -16.3502
            19  C8x C    23.9488  -15.6616
            20  C8x C    22.7392  -16.3600
            21  C8y C    22.7392  -17.7568
            22  C8x C    23.9488  -18.4552
            23  X   Cl   21.5275  -18.4564
            24  X   Cl   33.2635  -16.9756
BOND        23
            1     2   3 1
            2     3   4 1
            3     3   5 1
            4     4   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 1
            11    2  13 1
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   13  18 2
            18   14  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  15 1
            23   21  23 1
BRACKET     1    31.5000  -17.7100   31.5000  -16.1700
            1    34.0200  -16.1700   34.0200  -17.7100
            1  2
 ORIGINAL  1    1
 REPEAT    1   24

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