KEGG   DRUG: Hydrocodone
Entry
D08045                      Drug                                   
Name
Hydrocodone (INN);
Dihydrocodeinone
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C08024
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D11075<US> D11076<US> D11087<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
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
      D08045  Hydrocodone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
     D08045  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
    D08045  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
     D08045  Hydrocodone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08045  Hydrocodone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08045
Prodrugs [br08324.html]
 D08045
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
Other DBs
CAS: 125-29-1
PubChem: 96024738
ChEBI: 5779
LigandBox: D08045
NIKKAJI: J5.369D
LinkDB
KCF data

ATOM        22
            1   C1z C    23.4500  -18.5500
            2   C8y C    23.4500  -17.2200
            3   C1y C    24.6400  -19.2500
            4   C1y C    22.3300  -19.1800
            5   C1x C    24.6400  -17.9200
            6   C8y C    22.3300  -16.5900
            7   C8y C    24.6400  -16.5900
            8   C1y C    25.7600  -18.5500
            9   C1x C    24.6400  -20.5100
            10  O2x O    21.0700  -17.8500
            11  C5x C    22.3300  -20.5100
            12  C1x C    26.8800  -17.9200
            13  C8y C    22.3300  -15.2600
            14  C1x C    25.7600  -17.2900
            15  C8x C    24.6400  -15.2600
            16  N1y N    26.8800  -19.2500
            17  C1x C    23.4500  -21.2100
            18  O5x O    21.2800  -21.2100
            19  C8x C    23.5200  -14.6300
            20  O2a O    21.2800  -14.6300
            21  C1a C    20.0900  -15.2600
            22  C1a C    28.2800  -19.2500
BOND        26
            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

» Japanese version   » Back

KEGG   DRUG: Hydrocodone bitartrate
Entry
D03725                      Drug                                   
Name
Hydrocodone bitartrate (USP);
Hydrocodone bitartrate hemipentahydrate;
Dicodid (TN)
Product
  Generic
Formula
(C18H21NO3)2. (C4H6O6)2. 5H2O
Exact mass
988.39
Mol weight
988.9786
Structure
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D00846<US> D02152<US> D11075<US> D11076<US> D11087<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
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>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Hydrocodone
    D03725  Hydrocodone bitartrate (USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
     D03725  Hydrocodone bitartrate
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
    D03725  Hydrocodone bitartrate
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
    D03725  Hydrocodone bitartrate
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
    D03725  Hydrocodone bitartrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
     D03725  Hydrocodone bitartrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03725  Hydrocodone bitartrate (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03725
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
Other DBs
CAS: 34195-34-1
PubChem: 47205889
ChEBI: 5780
LigandBox: D03725
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Hydrocodone hydrochloride
Entry
D08046                      Drug                                   
Name
Hydrocodone hydrochloride;
Dihydrocodeinone hydrochloride;
Dicodid (TN)
Formula
C18H21NO3. HCl
Exact mass
335.1288
Mol weight
335.8252
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02919  CYP2B6 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: R05DA03
Chemical structure group: DG01075
Product (DG01075): D03725<US>
Product (mixture): D11075<US> D11076<US> D11087<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
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
      D08046  Hydrocodone hydrochloride
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
     D08046  Hydrocodone hydrochloride
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
    D08046  Hydrocodone hydrochloride
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
    D08046  Hydrocodone hydrochloride
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
    D08046  Hydrocodone hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
     D08046  Hydrocodone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08046  Hydrocodone hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08046
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    DG01075  Hydrocodone
 Metabolizing enzyme substrate
  DG02919  CYP2B6 substrate
   DG01075  Hydrocodone
  DG01639  CYP2C19 substrate
   DG01075  Hydrocodone
  DG01644  CYP2D6 substrate
   DG01075  Hydrocodone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01075  Hydrocodone
Other DBs
CAS: 25968-91-6
PubChem: 96024739
LigandBox: D08046
NIKKAJI: J281.271A
LinkDB
KCF data

ATOM        23
            1   C1z C    23.3800  -18.5500
            2   C8y C    23.3800  -17.2200
            3   C1y C    24.5700  -19.2500
            4   C1y C    22.2600  -19.1800
            5   C1x C    24.5700  -17.9200
            6   C8y C    22.2600  -16.5900
            7   C8y C    24.5700  -16.5900
            8   C1y C    25.6900  -18.5500
            9   C1x C    24.5700  -20.5100
            10  O2x O    21.0000  -17.8500
            11  C5x C    22.2600  -20.5100
            12  C1x C    26.8800  -17.9200
            13  C8y C    22.2600  -15.2600
            14  C1x C    25.6900  -17.2900
            15  C8x C    24.5700  -15.2600
            16  N1y N    26.8800  -19.2500
            17  C1x C    23.3800  -21.2100
            18  O5x O    21.2100  -21.2100
            19  C8x C    23.4500  -14.6300
            20  O2a O    21.2100  -14.6300
            21  C1a C    20.0200  -15.2600
            22  C1a C    28.2800  -19.2500
            23  X   Cl   31.4300  -17.4300
BOND        26
            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

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