KEGG   DRUG: Hydrocodone bitartrateHelp
Entry
D03725                      Drug                                   

Name
Hydrocodone bitartrate (USP);
Hydrocodone bitartrate hemipentahydrate;
Dicodid (TN)
Product
Formula
(C18H21NO3)2. (C4H6O6)2. 5H2O
Exact mass
988.39
Mol weight
988.9786
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D00846<US> D02152<US> D11088<US> D11087<US> D11075<US> D11076<US>
Efficacy
Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2D6 [HSA:1565], CYP2B6 [HSA:1555], CYP2C19 [HSA:1557]
Interaction
Drug interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA03 Hydrocodone
      D03725  Hydrocodone bitartrate (USP) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03725  Hydrocodone bitartrate (USP) <US>
BRITE hierarchy
Other DBs
CAS: 34195-34-1
PubChem: 47205889
ChEBI: 5780
DrugBank: DB00956
LigandBox: D03725
LinkDB All DBs
KCF data Show

ATOM        69
            1   C1z C    25.7578  -16.0286
            2   C8y C    25.7578  -14.6988
            3   C1y C    26.9476  -16.7286
            4   C1y C    24.6379  -16.6586
            5   C1x C    26.9476  -15.3987
            6   C8y C    24.6379  -14.0688
            7   C8y C    26.9476  -14.0688
            8   C1y C    28.0675  -16.0286
            9   C1x C    26.9476  -17.9885
            10  O2x O    23.3780  -15.3287
            11  C5x C    24.6379  -17.9885
            12  C1x C    29.1874  -15.3987
            13  C8y C    24.6379  -12.7389
            14  C1x C    28.0675  -14.7688
            15  C8x C    26.9476  -12.7389
            16  N1y N    29.1874  -16.7286
            17  C1x C    25.7578  -18.6884
            18  O5x O    23.5880  -18.6884
            19  C8x C    25.8277  -12.1090
            20  O2a O    23.5880  -12.1090
            21  C1a C    22.3981  -12.7389
            22  C1a C    30.5873  -16.7286
            23  O6a O    34.5301  -13.5792
            24  C6a C    35.7425  -14.2791
            25  C1c C    36.9549  -13.5792
            26  C1c C    38.1672  -14.2791
            27  C6a C    39.3797  -13.5792
            28  O6a O    40.5920  -14.2791
            29  O6a O    35.7425  -15.6789
            30  O1a O    36.9549  -12.1792
            31  O1a O    38.1672  -15.6790
            32  O6a O    39.3797  -12.1795
            33  O0  O    38.2200  -18.0600
            34  C1z C    25.7578  -16.0286
            35  C8y C    25.7578  -14.6988
            36  C8y C    24.6379  -14.0688
            37  C8y C    24.6379  -12.7389
            38  C8x C    25.8277  -12.1090
            39  C8x C    26.9476  -12.7389
            40  C8y C    26.9476  -14.0688
            41  C1x C    28.0675  -14.7688
            42  C1y C    28.0675  -16.0286
            43  C1y C    26.9476  -16.7286
            44  C1x C    26.9476  -17.9885
            45  C1x C    25.7578  -18.6884
            46  C5x C    24.6379  -17.9885
            47  C1y C    24.6379  -16.6586
            48  O2x O    23.3780  -15.3287
            49  O5x O    23.5880  -18.6884
            50  N1y N    29.1874  -16.7286
            51  C1x C    29.1874  -15.3987
            52  C1x C    26.9476  -15.3987
            53  C1a C    30.5873  -16.7286
            54  O2a O    23.5880  -12.1090
            55  C1a C    22.3981  -12.7389
            56  O6a O    34.5301  -13.5792
            57  C6a C    35.7425  -14.2791
            58  C1c C    36.9549  -13.5792
            59  C1c C    38.1672  -14.2791
            60  C6a C    39.3797  -13.5792
            61  O6a O    40.5920  -14.2791
            62  O6a O    39.3797  -12.1795
            63  O1a O    38.1672  -15.6790
            64  O1a O    36.9549  -12.1792
            65  O6a O    35.7425  -15.6789
            66  O0  O    38.2200  -18.0600
            67  O0  O    38.2200  -18.0600
            68  O0  O    38.2200  -18.0600
            69  O0  O    38.2200  -18.0600
BOND        70
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1
            27   34  35 1
            28   34  43 1
            29   34  47 1
            30   34  52 1 #Up
            31   35  36 2
            32   35  40 1
            33   43  42 1
            34   43  44 1
            35   47  48 1 #Down
            36   47  46 1
            37   52  51 1
            38   36  37 1
            39   40  41 1
            40   40  39 2
            41   42  50 1 #Up
            42   44  45 1
            43   46  49 2
            44   37  38 2
            45   37  54 1
            46   54  55 1
            47   36  48 1
            48   42  41 1
            49   46  45 1
            50   51  50 1
            51   39  38 1
            52   50  53 1
            53   23  24 1
            54   24  25 1
            55   25  26 1
            56   26  27 1
            57   27  28 1
            58   24  29 2
            59   25  30 1 #Down
            60   26  31 1 #Down
            61   27  32 2
            62   56  57 1
            63   57  58 1
            64   58  59 1
            65   59  60 1
            66   60  61 1
            67   57  65 2
            68   58  64 1 #Down
            69   59  63 1 #Down
            70   60  62 2
BRACKET     1    20.5100  -19.2500   20.5100  -11.2700
            1    32.1300  -11.2700   32.1300  -19.2500
            1  2
 ORIGINAL  1    1   2   6  13  19  15   7  14   8   3   9  17  11   4  10  18
            1   22  16  12   5  23  20  21
 REPEAT    1   35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50
            1   51  52  53  54  55  56  57
            2    33.2500  -16.2400   33.2500  -11.3400
            2    41.8600  -11.3400   41.8600  -16.2400
            2  2
 ORIGINAL  2   24  25  26  27  28  29  33  32  31  30
 REPEAT    2   58  59  60  61  62  63  64  65  66  67
            3    36.1900  -19.0400   36.1900  -17.1500
            3    38.9200  -17.1500   38.9200  -19.0400
            3  5
 ORIGINAL  3   34
 REPEAT    3   68  69  70  71

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