KEGG   DRUG: Sacubitril valsartan sodium hydrate
Entry
D10226            Mixture   Drug                                   

Name
Sacubitril valsartan sodium hydrate (JAN);
Sacubitril mixture with valsartan;
Entresto (TN)
Product
Formula
(C24H27N5O3. 2Na)2. (C24H28NO5. Na)2. 5H2O
Exact mass
1914.8077
Mol weight
1915.9864
Structure
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
Remark
Therapeutic category: 2149 2190
ATC code: C09DX04
Product: D10226<JP/US>
Efficacy
Antihypertensive
Comment
Treatment of cardiovascular disease (chronic heart failure, symptomatic heart failure)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09D ANGIOTENSIN II RECEPTOR BLOCKERS (ARBs), COMBINATIONS
    C09DX Angiotensin II receptor blockers (ARBs), other combinations
     C09DX04 Valsartan and sacubitril
      D10226  Sacubitril valsartan sodium hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Combinations
   Sacubitril/ Valsartan
    D10226  Sacubitril valsartan sodium hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D10226  Sacubitril valsartan sodium hydrate (JAN)
   219  Miscellaneous
    2190  Miscellaneous
     D10226  Sacubitril valsartan sodium hydrate (JAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10226
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10226
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10226
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10226
Other DBs
CAS: 936623-90-4
PubChem: 163312257
LinkDB
KCF data

ATOM        135
            1   C1a C     4.8300  -19.6700
            2   C1b C     6.0900  -20.3700
            3   O7a O     7.2800  -19.6700
            4   C7a C     8.4700  -20.3700
            5   C1c C     9.6600  -19.6700
            6   O6a O     8.4700  -21.8400
            7   C1b C    10.8500  -20.3700
            8   C1c C    12.0400  -19.6700
            9   N1b N    13.3000  -20.3700
            10  C5a C    14.4900  -19.6700
            11  C1b C    15.6800  -20.3700
            12  O5a O    14.4900  -18.2700
            13  C1b C    16.8700  -19.6700
            14  C6a C    18.0600  -20.3700
            15  O6a O    19.2500  -19.6700 #-
            16  O6a O    18.0600  -21.8400
            17  C1a C     8.9600  -18.4800
            18  C1b C    12.8100  -18.4800
            19  C8y C    12.3900  -17.0800
            20  C8x C    13.1600  -15.8900
            21  C8x C    12.4600  -14.6300
            22  C8y C    11.1300  -14.6300
            23  C8x C    10.3600  -15.8200
            24  C8x C    11.0600  -17.0800
            25  C8y C    10.5000  -13.3700
            26  C8x C    11.2000  -12.1800
            27  C8x C    10.5700  -10.8500
            28  C8x C     9.1700  -10.8500
            29  C8x C     8.4700  -12.0400
            30  C8x C     9.0300  -13.3700
            31  C8x C    24.7800  -19.9500
            32  C8x C    24.7800  -21.3500
            33  C8x C    26.0400  -22.1200
            34  C8x C    27.3000  -21.3500
            35  C8y C    27.3000  -19.9500
            36  C8y C    26.0400  -19.2500
            37  C8y C    28.4900  -19.2500
            38  C8x C    29.6800  -19.9500
            39  C8x C    30.9400  -19.2500
            40  C8y C    30.9400  -17.8500
            41  C8x C    29.7500  -17.1500
            42  C8x C    28.4900  -17.8500
            43  C8y C    26.0400  -17.8500
            44  N4x N    27.1600  -17.0100 #-
            45  N5x N    26.7400  -15.7500
            46  N5x N    25.3400  -15.7500
            47  N5x N    24.8500  -17.0100
            48  C1b C    32.1300  -17.1500
            49  N1c N    32.1300  -15.7500
            50  C1c C    33.3200  -15.0500
            51  C5a C    30.9400  -15.0500
            52  O5a O    29.7500  -15.7500
            53  C1b C    30.9400  -13.6500
            54  C1b C    29.7500  -12.9500
            55  C1b C    29.7500  -11.5500
            56  C1a C    28.5600  -10.8500
            57  C6a C    34.5100  -15.7500
            58  O6a O    35.7000  -15.0500
            59  O6a O    34.5100  -17.1500 #-
            60  C1c C    33.3200  -13.6500
            61  C1a C    32.1300  -12.9500
            62  C1a C    34.5100  -12.9500
            63  Z   Na   27.7200  -14.4900 #+
            64  Z   Na   33.8800  -18.8300 #+
            65  O0  O    40.5300  -18.0600
            66  Z   Na   18.5500  -18.2000 #+
            67  C1a C     4.8300  -19.6700
            68  C1b C     6.0900  -20.3700
            69  O7a O     7.2800  -19.6700
            70  C7a C     8.4700  -20.3700
            71  C1c C     9.6600  -19.6700
            72  C1b C    10.8500  -20.3700
            73  C1c C    12.0400  -19.6700
            74  N1b N    13.3000  -20.3700
            75  C5a C    14.4900  -19.6700
            76  C1b C    15.6800  -20.3700
            77  C1b C    16.8700  -19.6700
            78  C6a C    18.0600  -20.3700
            79  O6a O    19.2500  -19.6700 #-
            80  O6a O    18.0600  -21.8400
            81  O5a O    14.4900  -18.2700
            82  C1b C    12.8100  -18.4800
            83  C8y C    12.3900  -17.0800
            84  C8x C    13.1600  -15.8900
            85  C8x C    12.4600  -14.6300
            86  C8y C    11.1300  -14.6300
            87  C8x C    10.3600  -15.8200
            88  C8x C    11.0600  -17.0800
            89  C8y C    10.5000  -13.3700
            90  C8x C    11.2000  -12.1800
            91  C8x C    10.5700  -10.8500
            92  C8x C     9.1700  -10.8500
            93  C8x C     8.4700  -12.0400
            94  C8x C     9.0300  -13.3700
            95  C1a C     8.9600  -18.4800
            96  O6a O     8.4700  -21.8400
            97  Z   Na   18.5500  -18.2000 #+
            98  C8x C    24.7800  -19.9500
            99  C8x C    24.7800  -21.3500
            100 C8x C    26.0400  -22.1200
            101 C8x C    27.3000  -21.3500
            102 C8y C    27.3000  -19.9500
            103 C8y C    26.0400  -19.2500
            104 C8y C    26.0400  -17.8500
            105 N4x N    27.1600  -17.0100 #-
            106 N5x N    26.7400  -15.7500
            107 N5x N    25.3400  -15.7500
            108 N5x N    24.8500  -17.0100
            109 C8y C    28.4900  -19.2500
            110 C8x C    29.6800  -19.9500
            111 C8x C    30.9400  -19.2500
            112 C8y C    30.9400  -17.8500
            113 C8x C    29.7500  -17.1500
            114 C8x C    28.4900  -17.8500
            115 C1b C    32.1300  -17.1500
            116 N1c N    32.1300  -15.7500
            117 C1c C    33.3200  -15.0500
            118 C6a C    34.5100  -15.7500
            119 O6a O    35.7000  -15.0500
            120 O6a O    34.5100  -17.1500 #-
            121 C1c C    33.3200  -13.6500
            122 C1a C    32.1300  -12.9500
            123 C1a C    34.5100  -12.9500
            124 C5a C    30.9400  -15.0500
            125 O5a O    29.7500  -15.7500
            126 C1b C    30.9400  -13.6500
            127 C1b C    29.7500  -12.9500
            128 C1b C    29.7500  -11.5500
            129 C1a C    28.5600  -10.8500
            130 Z   Na   27.7200  -14.4900 #+
            131 Z   Na   33.8800  -18.8300 #+
            132 O0  O    40.5300  -18.0600
            133 O0  O    40.5300  -18.0600
            134 O0  O    40.5300  -18.0600
            135 O0  O    40.5300  -18.0600
BOND        130
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16    5  17 1 #Down
            17    8  18 1 #Up
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   19  24 1
            25   22  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   25  30 1
            32   67  68 1
            33   68  69 1
            34   69  70 1
            35   70  71 1
            36   70  96 2
            37   71  72 1
            38   72  73 1
            39   73  74 1
            40   74  75 1
            41   75  76 1
            42   75  81 2
            43   76  77 1
            44   77  78 1
            45   78  79 1
            46   78  80 2
            47   71  95 1 #Down
            48   73  82 1 #Up
            49   82  83 1
            50   83  84 2
            51   84  85 1
            52   85  86 2
            53   86  87 1
            54   87  88 2
            55   83  88 1
            56   86  89 1
            57   89  90 2
            58   90  91 1
            59   91  92 2
            60   92  93 1
            61   93  94 2
            62   89  94 1
            63   31  32 2
            64   32  33 1
            65   33  34 2
            66   34  35 1
            67   35  36 2
            68   31  36 1
            69   35  37 1
            70   37  38 2
            71   38  39 1
            72   39  40 2
            73   40  41 1
            74   41  42 2
            75   37  42 1
            76   36  43 1
            77   43  44 1
            78   44  45 1
            79   45  46 2
            80   46  47 1
            81   43  47 2
            82   40  48 1
            83   48  49 1
            84   49  50 1
            85   49  51 1
            86   51  52 2
            87   51  53 1
            88   53  54 1
            89   54  55 1
            90   55  56 1
            91   50  57 1
            92   57  58 2
            93   57  59 1
            94   50  60 1 #Up
            95   60  61 1
            96   60  62 1
            97   98  99 2
            98   99 100 1
            99  100 101 2
            100 101 102 1
            101 102 103 2
            102  98 103 1
            103 102 109 1
            104 109 110 2
            105 110 111 1
            106 111 112 2
            107 112 113 1
            108 113 114 2
            109 109 114 1
            110 103 104 1
            111 104 105 1
            112 105 106 1
            113 106 107 2
            114 107 108 1
            115 104 108 2
            116 112 115 1
            117 115 116 1
            118 116 117 1
            119 116 124 1
            120 124 125 2
            121 124 126 1
            122 126 127 1
            123 127 128 1
            124 128 129 1
            125 117 118 1
            126 118 119 2
            127 118 120 1
            128 117 121 1 #Up
            129 121 122 1
            130 121 123 1
BRACKET     1     2.1700  -23.4500    2.1700   -9.2400
            1    20.9300   -9.2400   20.9300  -23.4500
            1  2
 ORIGINAL  1    1   2   3   4   5   7   8   9  10  11  13  14  15  16  12  19
            1   20  21  22  23  24  25  26  27  28  29  30  31  32  17  18   6
            1   68
 REPEAT    1   69  70  71  72  73  74  75  76  77  78  79  80  81  82  83  84
            1   85  86  87  88  89  90  91  92  93  94  95  96  97  98  99 100
            1  101
            2    23.7300  -23.5900   23.7300   -9.1700
            2    36.5400   -9.1700   36.5400  -23.5900
            2  2
 ORIGINAL  2   33  34  35  36  37  38  45  46  47  48  49  39  40  41  42  43
            2   44  50  51  52  59  60  61  62  63  64  53  54  55  56  57  58
            2   65  66
 REPEAT    2  102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117
            2  118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133
            2  134 135
            3    38.5000  -18.9700   38.5000  -16.9400
            3    41.1600  -16.9400   41.1600  -18.9700
            3  5
 ORIGINAL  3   67
 REPEAT    3  136 137 138 139

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