KEGG   DRUG: D02258Help
Entry
D02258                      Drug                                   

Name
Atorvastatin calcium hydrate (JP16);
Lipitor (TN)
Product
  Generic
ATORVASTATIN CALCIUM (Aidarex Pharmaceuticals LLC), ATORVASTATIN CALCIUM (American Health Packaging), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Cardinal Health), ATORVASTATIN CALCIUM (Dispensing Solutions), ATORVASTATIN CALCIUM (Greenstone LLC), ATORVASTATIN CALCIUM (Legacy Pharmaceutical Packaging), ATORVASTATIN CALCIUM (Mylan Institutional), ATORVASTATIN CALCIUM (Mylan Pharmaceuticals), ATORVASTATIN CALCIUM (NCS HealthCare of KY), ATORVASTATIN CALCIUM (NCS HealthCare of KY), ATORVASTATIN CALCIUM (Physicians Total Care), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Ranbaxy Pharmaceuticals), ATORVASTATIN CALCIUM (Ranbaxy Pharmaceuticals), ATORVASTATIN CALCIUM (Rebel Distributors Corp), ATORVASTATIN CALCIUM (State of Florida DOH Central Pharmacy)
Formula
(C33H34FN2O5)2. 3H2O. Ca
Exact mass
1208.4846
Mol weight
1209.3876
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Inhibitor [HMG-CoA reductase]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase inhibitor [HSA:3156] [KO:K00021]
  Pathway
Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
Genomic biomarker: LDLR [HSA:3949]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
HMG-CoA reductase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AA HMG CoA reductase inhibitors
     C10AA05 Atorvastatin
      D02258  Atorvastatin calcium hydrate (JP16)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D02258  Atorvastatin calcium hydrate (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   218  Hyperlipidemia agents
    2189  Others
     D02258  Atorvastatin calcium hydrate (JP16)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase
    Atorvastatin
     D02258  Atorvastatin calcium hydrate (JP16)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Atorvastatin
    D02258  Atorvastatin calcium hydrate (JP16)
 Inhbitors
  CYP3A
   Atorvastatin
    D02258  Atorvastatin calcium hydrate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02258  Atorvastatin calcium hydrate
  D02258  Atorvastatin calcium tablets
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D02258
BRITE hierarchy
Other DBs
CAS: 
344423-98-9
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        86
            1   C8y C    22.6759  -21.0892
            2   C8y C    24.0739  -21.0892
            3   C8y C    24.4932  -19.7378
            4   N4y N    23.3749  -18.9456
            5   C8y C    22.2100  -19.7378
            6   C8y C    21.8371  -22.2075
            7   C1c C    25.7980  -19.3184
            8   C8y C    20.9052  -19.3184
            9   C1b C    23.3749  -17.5477
            10  C1b C    24.5865  -16.8487
            11  C1c C    24.5865  -15.4508
            12  O1a O    25.7980  -14.7519
            13  C1b C    23.3749  -14.7519
            14  C1c C    23.3749  -13.3539
            15  C1b C    24.5865  -12.6550
            16  O1a O    22.1634  -12.6550
            17  C6a C    25.9844  -12.6550
            18  O6a O    26.6834  -13.8666 #-
            19  O6a O    26.6834  -11.4435
            20  C8x C    20.6256  -17.9205
            21  C8x C    19.2743  -17.5011
            22  C8y C    18.2492  -18.4331
            23  C8x C    18.5288  -19.8310
            24  C8x C    19.8800  -20.2504
            25  C1a C    26.8697  -20.2504
            26  C1a C    26.1241  -17.9205
            27  X   F    16.8979  -18.0137
            28  C5a C    24.8881  -22.1939
            29  N1b N    26.2874  -22.1939
            30  O5a O    24.2674  -23.4227
            31  C8y C    26.9855  -23.4031
            32  C8x C    26.3066  -24.5794
            33  C8x C    27.0062  -25.7913
            34  C8x C    28.4055  -25.7912
            35  C8x C    29.0846  -24.6148
            36  C8x C    28.3848  -23.4030
            37  C8x C    20.4310  -22.1443
            38  C8x C    19.6783  -23.3240
            39  C8x C    20.3236  -24.6356
            40  C8x C    21.7318  -24.6282
            41  C8x C    22.4845  -23.4486
            42  Z   Ca   31.9955  -16.4087 #2+
            43  O0  O    33.3743  -18.9605
            44  C8y C    22.6759  -21.0892
            45  C8y C    24.0739  -21.0892
            46  C8y C    24.4932  -19.7378
            47  N4y N    23.3749  -18.9456
            48  C8y C    22.2100  -19.7378
            49  C8y C    20.9052  -19.3184
            50  C8x C    20.6256  -17.9205
            51  C8x C    19.2743  -17.5011
            52  C8y C    18.2492  -18.4331
            53  C8x C    18.5288  -19.8310
            54  C8x C    19.8800  -20.2504
            55  X   F    16.8979  -18.0137
            56  C1b C    23.3749  -17.5477
            57  C1b C    24.5865  -16.8487
            58  C1c C    24.5865  -15.4508
            59  O1a O    25.7980  -14.7519
            60  C1b C    23.3749  -14.7519
            61  C1c C    23.3749  -13.3539
            62  C1b C    24.5865  -12.6550
            63  C6a C    25.9844  -12.6550
            64  O6a O    26.6834  -13.8666 #-
            65  O6a O    26.6834  -11.4435
            66  O1a O    22.1634  -12.6550
            67  C1c C    25.7980  -19.3184
            68  C1a C    26.8697  -20.2504
            69  C1a C    26.1241  -17.9205
            70  C5a C    24.8881  -22.1939
            71  N1b N    26.2874  -22.1939
            72  C8y C    26.9855  -23.4031
            73  C8x C    26.3066  -24.5794
            74  C8x C    27.0062  -25.7913
            75  C8x C    28.4055  -25.7912
            76  C8x C    29.0846  -24.6148
            77  C8x C    28.3848  -23.4030
            78  O5a O    24.2674  -23.4227
            79  C8y C    21.8371  -22.2075
            80  C8x C    20.4310  -22.1443
            81  C8x C    19.6783  -23.3240
            82  C8x C    20.3236  -24.6356
            83  C8x C    21.7318  -24.6282
            84  C8x C    22.4845  -23.4486
            85  O0  O    33.3743  -18.9605
            86  O0  O    33.3743  -18.9605
BOND        88
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     3   7 1
            8     5   8 1
            9     4   9 1
            10    9  10 1
            11   11  10 1 #Down
            12   11  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1 #Up
            17   15  17 1
            18   17  18 1
            19   17  19 2
            20    8  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25    8  24 1
            26    7  25 1
            27    7  26 1
            28   22  27 1
            29    2  28 1
            30   28  29 1
            31   28  30 2
            32   29  31 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   31  36 1
            39    6  37 2
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44    6  41 1
            45   44  45 1
            46   45  46 2
            47   46  47 1
            48   47  48 1
            49   44  48 2
            50   44  79 1
            51   46  67 1
            52   48  49 1
            53   47  56 1
            54   56  57 1
            55   58  57 1 #Down
            56   58  59 1
            57   58  60 1
            58   60  61 1
            59   61  62 1
            60   61  66 1 #Up
            61   62  63 1
            62   63  64 1
            63   63  65 2
            64   49  50 2
            65   50  51 1
            66   51  52 2
            67   52  53 1
            68   53  54 2
            69   49  54 1
            70   67  68 1
            71   67  69 1
            72   52  55 1
            73   45  70 1
            74   70  71 1
            75   70  78 2
            76   71  72 1
            77   72  73 2
            78   73  74 1
            79   74  75 2
            80   75  76 1
            81   76  77 2
            82   72  77 1
            83   79  80 2
            84   80  81 1
            85   81  82 2
            86   82  83 1
            87   83  84 2
            88   79  84 1
BRACKET     1    16.2400  -26.0400   16.2400  -10.7100
            1    29.2600  -10.7100   29.2600  -26.0400
            1  2
 ORIGINAL  1    1   2   3   4   5   8  20  21  22  23  24  27   9  10  11  12
            1   13  14  15  17  18  19  16   7  25  26  28  29  31  32  33  34
            1   35  36  30   6  37  38  39  40  41
 REPEAT    1   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  75
            1   76  77  78  79  80  81  82  83  84
            2    31.0800  -19.9500   31.0800  -17.9200
            2    34.0900  -17.9200   34.0900  -19.9500
            2  3
 ORIGINAL  2   43
 REPEAT    2   85  86

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