KEGG   DRUG: Atorvastatin calcium propylene glycol solvateHelp
Entry
D11095                      Drug                                   

Name
Atorvastatin calcium propylene glycol solvate
Product
  Generic
ATORVASTATIN CALCIUM (DIRECT RX), ATORVASTATIN CALCIUM (Aidarex Pharmaceuticals LLC), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Apotex Corp.), ATORVASTATIN CALCIUM (AvPAK), ATORVASTATIN CALCIUM (Blenheim Pharmacal), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Cambridge Therapeutics Technologies), ATORVASTATIN CALCIUM (Cardinal Health), ATORVASTATIN CALCIUM (Cardinal Health), ATORVASTATIN CALCIUM (Cardinal Health), ATORVASTATIN CALCIUM (Carilion Materials Management), ATORVASTATIN CALCIUM (Denton Pharma), ATORVASTATIN CALCIUM (Denton Pharma), ATORVASTATIN CALCIUM (DirectRX), ATORVASTATIN CALCIUM (Golden State Medical Supply), ATORVASTATIN CALCIUM (International Laboratories), ATORVASTATIN CALCIUM (Lake Erie Medical DBA Quality Care Products LLC), ATORVASTATIN CALCIUM (Liberty Pharmaceuticals), ATORVASTATIN CALCIUM (Major Pharmaceuticals), ATORVASTATIN CALCIUM (Major Pharmaceuticals), ATORVASTATIN CALCIUM (MedVantx), ATORVASTATIN CALCIUM (NCS HealthCare of KY), ATORVASTATIN CALCIUM (NCS HealthCare of KY), ATORVASTATIN CALCIUM (NCS HealthCare of KY), ATORVASTATIN CALCIUM (New Horizon Rx Group), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (QPharma), ATORVASTATIN CALCIUM (QPharma), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (RedPharm Drug), ATORVASTATIN CALCIUM (RedPharm Drug), ATORVASTATIN CALCIUM (St Marys Medical Park Pharmacy), ATORVASTATIN CALCIUM (State of Florida DOH Central Pharmacy), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (St Marys Medical Park Pharmacy)
Formula
(C33H34FN2O5)2. C3H8O2. Ca
Exact mass
1230.5054
Mol weight
1231.4361
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
 DG02913  CYP3A4 substrate
Remark
ATC code: C10AA05
Chemical structure group: DG00355
Product (DG00355): D00887<US> D02258<JP/US> D11095<US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
  Disease
Hyperlipidemia [DS:H01635]
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
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
      D11095  Atorvastatin calcium propylene glycol solvate <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D11095  Atorvastatin calcium propylene glycol solvate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D11095  Atorvastatin calcium propylene glycol solvate <US>
BRITE hierarchy
Other DBs
CAS: 1040350-07-9
PubChem: 376219020
LinkDB All DBs
KCF data Show

ATOM        88
            1   C8y C    18.0600  -19.0400
            2   C8y C    19.4600  -19.0400
            3   C8y C    19.8800  -17.7100
            4   N4y N    18.7600  -16.9400
            5   C8y C    17.5700  -17.7100
            6   C8y C    17.2200  -20.1600
            7   C1c C    21.2100  -17.2900
            8   C8y C    16.3100  -17.2900
            9   C1b C    18.7600  -15.5400
            10  C1b C    19.9500  -14.8400
            11  C1c C    19.9500  -13.4400
            12  O1a O    21.2100  -12.7400
            13  C1b C    18.7600  -12.7400
            14  C1c C    18.7600  -11.3400
            15  C1b C    19.9500  -10.6400
            16  O1a O    17.5700  -10.6400
            17  C6a C    21.3500  -10.6400
            18  O6a O    22.0500  -11.8300 #-
            19  O6a O    22.0500   -9.3800
            20  C8x C    16.0300  -15.8900
            21  C8x C    14.6300  -15.4700
            22  C8y C    13.6500  -16.3800
            23  C8x C    13.9300  -17.7800
            24  C8x C    15.2600  -18.2000
            25  C1a C    22.2600  -18.2000
            26  C1a C    21.4900  -15.8900
            27  X   F    12.2500  -15.9600
            28  C5a C    20.3000  -20.1600
            29  N1b N    21.7000  -20.1600
            30  O5a O    19.6700  -21.4200
            31  C8y C    22.4000  -21.3500
            32  C8x C    21.7000  -22.5400
            33  C8x C    22.4000  -23.7300
            34  C8x C    23.8000  -23.7300
            35  C8x C    24.4300  -22.6100
            36  C8x C    23.7300  -21.3500
            37  C8x C    15.8200  -20.1600
            38  C8x C    15.0500  -21.2800
            39  C8x C    15.6800  -22.6100
            40  C8x C    17.0800  -22.6100
            41  C8x C    17.8500  -21.4200
            42  Z   Ca   26.4600  -11.6900 #2+
            43  C1a C    27.7200  -18.1300
            44  C1c C    28.9324  -18.8300
            45  C1b C    30.1279  -18.1396
            46  O1a O    28.9325  -20.2298
            47  O1a O    31.3153  -18.8251
            48  C8y C    18.0600  -19.0400
            49  C8y C    19.4600  -19.0400
            50  C8y C    19.8800  -17.7100
            51  N4y N    18.7600  -16.9400
            52  C8y C    17.5700  -17.7100
            53  C8y C    16.3100  -17.2900
            54  C8x C    16.0300  -15.8900
            55  C8x C    14.6300  -15.4700
            56  C8y C    13.6500  -16.3800
            57  C8x C    13.9300  -17.7800
            58  C8x C    15.2600  -18.2000
            59  X   F    12.2500  -15.9600
            60  C1b C    18.7600  -15.5400
            61  C1b C    19.9500  -14.8400
            62  C1c C    19.9500  -13.4400
            63  O1a O    21.2100  -12.7400
            64  C1b C    18.7600  -12.7400
            65  C1c C    18.7600  -11.3400
            66  C1b C    19.9500  -10.6400
            67  C6a C    21.3500  -10.6400
            68  O6a O    22.0500  -11.8300 #-
            69  O6a O    22.0500   -9.3800
            70  O1a O    17.5700  -10.6400
            71  C1c C    21.2100  -17.2900
            72  C1a C    22.2600  -18.2000
            73  C1a C    21.4900  -15.8900
            74  C5a C    20.3000  -20.1600
            75  N1b N    21.7000  -20.1600
            76  C8y C    22.4000  -21.3500
            77  C8x C    21.7000  -22.5400
            78  C8x C    22.4000  -23.7300
            79  C8x C    23.8000  -23.7300
            80  C8x C    24.4300  -22.6100
            81  C8x C    23.7300  -21.3500
            82  O5a O    19.6700  -21.4200
            83  C8y C    17.2200  -20.1600
            84  C8x C    15.8200  -20.1600
            85  C8x C    15.0500  -21.2800
            86  C8x C    15.6800  -22.6100
            87  C8x C    17.0800  -22.6100
            88  C8x C    17.8500  -21.4200
BOND        92
            1    43  44 1
            2    44  45 1
            3    44  46 1
            4    45  47 1
            5     1   2 1
            6     2   3 2
            7     3   4 1
            8     4   5 1
            9     1   5 2
            10    1   6 1
            11    3   7 1
            12    5   8 1
            13    4   9 1
            14    9  10 1
            15   11  10 1 #Down
            16   11  12 1
            17   11  13 1
            18   13  14 1
            19   14  15 1
            20   14  16 1 #Up
            21   15  17 1
            22   17  18 1
            23   17  19 2
            24    8  20 2
            25   20  21 1
            26   21  22 2
            27   22  23 1
            28   23  24 2
            29    8  24 1
            30    7  25 1
            31    7  26 1
            32   22  27 1
            33    2  28 1
            34   28  29 1
            35   28  30 2
            36   29  31 1
            37   31  32 2
            38   32  33 1
            39   33  34 2
            40   34  35 1
            41   35  36 2
            42   31  36 1
            43    6  37 2
            44   37  38 1
            45   38  39 2
            46   39  40 1
            47   40  41 2
            48    6  41 1
            49   48  49 1
            50   49  50 2
            51   50  51 1
            52   51  52 1
            53   48  52 2
            54   48  83 1
            55   50  71 1
            56   52  53 1
            57   51  60 1
            58   60  61 1
            59   62  61 1 #Down
            60   62  63 1
            61   62  64 1
            62   64  65 1
            63   65  66 1
            64   65  70 1 #Up
            65   66  67 1
            66   67  68 1
            67   67  69 2
            68   53  54 2
            69   54  55 1
            70   55  56 2
            71   56  57 1
            72   57  58 2
            73   53  58 1
            74   71  72 1
            75   71  73 1
            76   56  59 1
            77   49  74 1
            78   74  75 1
            79   74  82 2
            80   75  76 1
            81   76  77 2
            82   77  78 1
            83   78  79 2
            84   79  80 1
            85   80  81 2
            86   76  81 1
            87   83  84 2
            88   84  85 1
            89   85  86 2
            90   86  87 1
            91   87  88 2
            92   83  88 1
BRACKET     1    11.4800  -23.8700   11.4800   -8.5400
            1    24.5000   -8.5400   24.5000  -23.8700
            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   48  49  50  51  52  53  54  55  56  57  58  59  60  61  62  63
            1   64  65  66  67  68  69  70  71  72  73  74  75  76  77  78  79
            1   80  81  82  83  84  85  86  87  88

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