KEGG   DRUG: Dasabuvir sodium hydrateHelp
Entry
D10581                      Drug                                   

Name
Dasabuvir sodium hydrate;
Dasabuvir sodium monohydrate;
Exviera (TN)
Formula
C26H26N3O5S. Na. H2O
Exact mass
533.1597
Mol weight
533.5718
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antiviral
 DG02000  NS5B inhibitor
Remark
ATC code: J05AP09
Chemical structure group: DG01886
Product (mixture): D10582<US>
Efficacy
Antiviral, NS5B polymerase inhibitor
Target
NS5B [KO:K22472]
  Pathway
ko05160  Hepatitis C
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AP Antivirals for treatment of HCV infections
     J05AP09 Dasabuvir
      D10581  Dasabuvir sodium hydrate
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10581
BRITE hierarchy
Other DBs
PubChem: 254741543
ChEBI: 85178
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8x C    16.1000  -14.9800
            2   C8y C    16.1000  -13.5800
            3   C8x C    17.2900  -12.8800
            4   C8y C    18.5500  -13.5800
            5   C8y C    18.5500  -14.9800
            6   C8x C    17.2900  -15.6800
            7   C8x C    19.7400  -12.8800
            8   C8x C    20.9300  -13.5800
            9   C8y C    20.9300  -14.9800
            10  C8x C    19.7400  -15.6800
            11  C8y C    22.1200  -15.6800
            12  C8x C    23.3100  -14.9800
            13  C8y C    24.5700  -15.6800
            14  C8x C    24.5700  -17.0800
            15  C8y C    23.3800  -17.7800
            16  C8y C    22.1200  -17.0800
            17  O2a O    20.9300  -17.7800
            18  C1a C    19.7400  -17.0800
            19  C1d C    23.3800  -19.1800
            20  C1a C    23.3800  -20.5800
            21  C1a C    24.7800  -19.1800
            22  C1a C    21.9800  -19.1800
            23  N4y N    25.7600  -14.9800
            24  C8x C    25.7600  -13.5800
            25  C8x C    27.0200  -12.8800
            26  C8y C    28.2100  -13.5800
            27  N4x N    28.2100  -14.9800
            28  C8y C    27.0200  -15.6800
            29  O5x O    29.4700  -12.8800
            30  O5x O    27.0200  -17.0800
            31  N1b N    14.9100  -12.8800 #-
            32  S4a S    13.7200  -13.5800
            33  C1a C    12.5300  -12.8800
            34  O3c O    13.0200  -14.8400
            35  O3c O    14.4200  -14.8400
            36  Z   Na   29.4700  -19.4600 #+
            37  O0  O    30.5200  -21.0700
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   16  17 1
            20   17  18 1
            21   15  19 1
            22   19  20 1
            23   19  21 1
            24   19  22 1
            25   13  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32   26  29 2
            33   28  30 2
            34    2  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 2
            38   32  35 2

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