KEGG   COMPOUND: C07625Help
Entry
C07625                      Compound                               

Name
Chloroquine
Formula
C18H26ClN3
Exact mass
319.1815
Mol weight
319.8721
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C07625  Chloroquine
BRITE hierarchy
Other DBs
CAS: 
54-05-7
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   N1b N    26.3943  -14.2238
            2   C1c C    27.6024  -13.5295
            3   C1b C    28.8102  -14.2296
            4   C1a C    27.6082  -12.1290
            5   C1b C    30.0242  -13.5352
            6   C1b C    31.2261  -14.2355
            7   N1c N    32.4400  -13.5470
            8   C1b C    33.6478  -14.2471
            9   C1b C    32.3757  -12.1464
            10  C1a C    34.8559  -13.5527
            11  C1a C    33.5837  -11.4521
            12  C8y C    26.3920  -15.6501
            13  C8y C    25.1584  -16.3600
            14  C8y C    25.1564  -17.7568
            15  N5x N    26.3650  -18.4569
            16  C8x C    27.5987  -17.7471
            17  C8x C    27.6007  -16.3502
            18  C8x C    23.9487  -15.6616
            19  C8x C    22.7391  -16.3600
            20  C8y C    22.7391  -17.7568
            21  C8x C    23.9487  -18.4552
            22  X   Cl   21.5274  -18.4564
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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