KEGG   DRUG: Pitavastatin magnesiumHelp
Entry
D11092                      Drug                                   

Name
Pitavastatin magnesium;
Zypitamag (TN)
Product
Formula
(C25H23FNO4)2. Mg
Exact mass
864.3073
Mol weight
865.2106
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01660  HMG-CoA reductase inhibitor
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Chemical structure group: DG01838
Product (DG01838): D01862<JP/US> D10568<JP> D11092<US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
  Disease
Primary hyperlipidemia [DS:H01635]
Mixed dyslipidemia [DS:H01635]
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Drug interaction
Brite
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Pitavastatin
    D11092  Pitavastatin magnesium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D11092  Pitavastatin magnesium <US>
BRITE hierarchy
Other DBs
PubChem: 376219017
ChEMBL: CHEMBL3989923
LinkDB All DBs
KCF data Show

ATOM        63
            1   Z   Mg   27.2300  -16.3800 #2+
            2   C8x C    10.7800  -17.7100
            3   C8x C    10.7800  -19.1100
            4   C8x C    11.9700  -19.8100
            5   C8y C    13.2300  -19.1100
            6   C8y C    13.2300  -17.7100
            7   C8x C    11.9700  -17.0100
            8   N5x N    14.4200  -19.8100
            9   C8y C    15.6100  -19.1100
            10  C8y C    15.6100  -17.7100
            11  C8y C    14.4200  -17.0100
            12  C8y C    14.4200  -15.6100
            13  C8x C    15.6100  -14.9100
            14  C8x C    15.6100  -13.5100
            15  C8y C    14.4200  -12.8100
            16  C8x C    13.2300  -13.5100
            17  C8x C    13.2300  -14.9100
            18  C2b C    16.8000  -17.0100
            19  C2b C    17.9900  -17.7100
            20  X   F    14.4200  -11.4100
            21  C1y C    16.8000  -19.8100
            22  C1c C    19.1800  -17.0100
            23  C1b C    20.3700  -17.7100
            24  C1c C    21.5600  -17.0100
            25  C1b C    22.7500  -17.7100
            26  O1a O    19.1800  -15.6100
            27  O1a O    21.5600  -15.6100
            28  C6a C    23.9400  -17.0100
            29  O6a O    25.1300  -17.7100 #-
            30  O6a O    23.9400  -15.6100
            31  C1x C    18.2000  -19.8100
            32  C1x C    17.5000  -21.0000
            33  C8x C    10.7800  -17.7100
            34  C8x C    10.7800  -19.1100
            35  C8x C    11.9700  -19.8100
            36  C8y C    13.2300  -19.1100
            37  C8y C    13.2300  -17.7100
            38  C8x C    11.9700  -17.0100
            39  C8y C    14.4200  -17.0100
            40  C8y C    15.6100  -17.7100
            41  C8y C    15.6100  -19.1100
            42  N5x N    14.4200  -19.8100
            43  C1y C    16.8000  -19.8100
            44  C1x C    17.5000  -21.0000
            45  C1x C    18.2000  -19.8100
            46  C2b C    16.8000  -17.0100
            47  C2b C    17.9900  -17.7100
            48  C1c C    19.1800  -17.0100
            49  C1b C    20.3700  -17.7100
            50  C1c C    21.5600  -17.0100
            51  C1b C    22.7500  -17.7100
            52  C6a C    23.9400  -17.0100
            53  O6a O    25.1300  -17.7100 #-
            54  O6a O    23.9400  -15.6100
            55  O1a O    21.5600  -15.6100
            56  O1a O    19.1800  -15.6100
            57  C8y C    14.4200  -15.6100
            58  C8x C    15.6100  -14.9100
            59  C8x C    15.6100  -13.5100
            60  C8y C    14.4200  -12.8100
            61  C8x C    13.2300  -13.5100
            62  C8x C    13.2300  -14.9100
            63  X   F    14.4200  -11.4100
BOND        68
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   10  18 1
            20   18  19 2
            21   15  20 1
            22    9  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   22  26 1 #Up
            28   24  27 1 #Up
            29   25  28 1
            30   28  29 1
            31   28  30 2
            32   32  31 1
            33   32  21 1
            34   21  31 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   37  38 2
            40   33  38 1
            41   36  42 1
            42   42  41 2
            43   41  40 1
            44   40  39 2
            45   37  39 1
            46   39  57 1
            47   57  58 2
            48   58  59 1
            49   59  60 2
            50   60  61 1
            51   61  62 2
            52   57  62 1
            53   40  46 1
            54   46  47 2
            55   60  63 1
            56   41  43 1
            57   47  48 1
            58   48  49 1
            59   49  50 1
            60   50  51 1
            61   48  56 1 #Up
            62   50  55 1 #Up
            63   51  52 1
            64   52  53 1
            65   52  54 2
            66   44  45 1
            67   44  43 1
            68   43  45 1
BRACKET     1    10.4300  -21.4200   10.4300  -10.9900
            1    25.8300  -10.9900   25.8300  -21.4200
            1  2
 ORIGINAL  1    2   3   4   5   6   7  11  10   9   8  21  32  31  18  19  22
            1   23  24  25  28  29  30  27  26  12  13  14  15  16  17  20
 REPEAT    1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56  57  58  59  60  61  62  63

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