KEGG   DRUG: D02262Help
Entry
D02262                      Drug                                   

Name
Quinine sulfate hydrate (JP16);
Quinine sulfate (USP);
Quinine hydrogen sulfate;
Coco-quinine (TN)
Product
  Generic
Formula
(C20H24N2O2)2. H2SO4. 2H2O
Exact mass
782.3561
Mol weight
782.9426
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antimalarial [DS:H00361]
Remark
ATC code: 
Drug group: 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Transporter: SLC22A1 [HSA:6580], SLC22A2 [HSA:6582]
Interaction
Genomic biomarker: G6PD [HSA:2539]
Transporter inhibition: SLC22A1 [HSA:6580]
Drug interaction
Structure map
Sulfonamide derivatives - sulfa drugs
Quinolines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BC Methanolquinolines
     P01BC01 Quinine
      D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Quinine
    D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
Antiinfectives [BR:br08307]
 Antiparasitics
  Antmalarials
   Others
    Methanolquinolines
     Quinine
      D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Quinine
    D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
  CYP3A5
   Quinine
    D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
  CYP3A7
   Quinine
    D02262  Quinine sulfate hydrate (JP16); Quinine sulfate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02262  Quinine sulfate hydrate
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Quinoline alkaloids
    D02262  Quinine sulfate (JP15/USP)
BRITE hierarchy
Other DBs
CAS: 
6119-70-6
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        55
            1   S4a S    28.4620  -21.2500
            2   O1d O    28.4620  -19.8500
            3   O1d O    28.4620  -22.6500
            4   O1d O    27.0619  -21.2500
            5   O1d O    29.8619  -21.2500
            6   O0  O    29.3300  -25.8300
            7   C8y C    19.1100  -26.0400
            8   C8y C    20.3700  -25.3400
            9   C8y C    19.1100  -27.4400
            10  C8x C    17.9200  -25.3400
            11  C1c C    20.3700  -23.9400
            12  C8x C    21.5600  -26.0400
            13  C8x C    17.9200  -28.1400
            14  N5x N    20.3000  -28.1400
            15  C8y C    16.7300  -26.0400
            16  C1y C    21.5600  -23.2400
            17  O1a O    19.1100  -23.2400
            18  C8x C    21.5600  -27.4400
            19  C8x C    16.7300  -27.4400
            20  O2a O    15.4700  -25.3400
            21  N1y N    23.0300  -22.3300
            22  C1x C    20.8600  -22.1900
            23  C1a C    15.4700  -23.9400
            24  C1x C    23.0300  -21.1400
            25  C1x C    24.5000  -23.1700
            26  C1y C    22.2600  -21.3500
            27  C1y C    22.2600  -20.3700
            28  C1x C    23.8000  -22.0500
            29  C2b C    21.7000  -19.0400
            30  C2a C    22.6100  -17.9200
            31  O0  O    29.3300  -25.8300
            32  C8y C    19.1100  -26.0400
            33  C8y C    20.3700  -25.3400
            34  C1c C    20.3700  -23.9400
            35  C1y C    21.5600  -23.2400
            36  N1y N    23.0300  -22.3300
            37  C1x C    23.0300  -21.1400
            38  C1y C    22.2600  -20.3700
            39  C2b C    21.7000  -19.0400
            40  C2a C    22.6100  -17.9200
            41  C1y C    22.2600  -21.3500
            42  C1x C    20.8600  -22.1900
            43  C1x C    23.8000  -22.0500
            44  C1x C    24.5000  -23.1700
            45  O1a O    19.1100  -23.2400
            46  C8x C    21.5600  -26.0400
            47  C8x C    21.5600  -27.4400
            48  N5x N    20.3000  -28.1400
            49  C8y C    19.1100  -27.4400
            50  C8x C    17.9200  -28.1400
            51  C8x C    16.7300  -27.4400
            52  C8y C    16.7300  -26.0400
            53  C8x C    17.9200  -25.3400
            54  O2a O    15.4700  -25.3400
            55  C1a C    15.4700  -23.9400
BOND        58
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     7   8 1
            6     7   9 1
            7     7  10 2
            8     8  11 1
            9     8  12 2
            10    9  13 2
            11    9  14 1
            12   10  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   12  18 1
            16   13  19 1
            17   15  20 1
            18   16  21 1
            19   16  22 1
            20   20  23 1
            21   21  24 1
            22   21  25 1
            23   22  26 1
            24   24  27 1
            25   25  28 1
            26   27  29 1 #Up
            27   29  30 2
            28   14  18 2
            29   15  19 2
            30   26  27 1
            31   26  28 1
            32   32  33 1
            33   32  49 1
            34   32  53 2
            35   33  34 1
            36   33  46 2
            37   49  50 2
            38   49  48 1
            39   53  52 1
            40   34  35 1
            41   34  45 1 #Up
            42   46  47 1
            43   50  51 1
            44   52  54 1
            45   35  36 1
            46   35  42 1
            47   54  55 1
            48   36  37 1
            49   36  44 1
            50   42  41 1
            51   37  38 1
            52   44  43 1
            53   38  39 1 #Up
            54   39  40 2
            55   48  47 2
            56   52  51 2
            57   41  38 1
            58   41  43 1
BRACKET     1    26.8800  -26.8100   26.8800  -24.9200
            1    30.1000  -24.9200   30.1000  -26.8100
            1  2
 ORIGINAL  1    6
 REPEAT    1   32
            2    14.9800  -28.3500   14.9800  -17.5000
            2    24.6400  -17.5000   24.6400  -28.3500
            2  2
 ORIGINAL  2    7   8  11  16  21  24  27  29  30  26  22  28  25  31  17  12
            2   18  14   9  13  19  15  10  20  23
 REPEAT    2   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            2   49  50  51  52  53  54  55  56  57

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