KEGG   DRUG: Quinine sulfateHelp
Entry
D02262                      Drug                                   

Name
Quinine sulfate (USP);
Quinine sulfate hydrate (JP17);
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 search
Simcomp SIMCOMP
Class
Enzyme substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Remark
ATC code: P01BC01
Chemical structure group: DG01019
Product (DG01019): D02261<JP> D02262<US>
Efficacy
Antimalarial
  Disease
Malaria [DS:H00361]
Comment
Methanolquinoline
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Drug interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
map07025  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 (USP) <US>
USP drug classification [BR:br08302]
 Antiparasitics
  Antiprotozoals
   Quinine
    D02262  Quinine sulfate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02262  Quinine sulfate hydrate
Antiinfectives [br08350.html]
 Antiparasitics
  D02262
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D02262
BRITE hierarchy
Other DBs
CAS: 6119-70-6
PubChem: 7849321
ChEBI: 52251
ChEMBL: CHEMBL2359966
DrugBank: DB00468
LigandBox: D02262
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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