KEGG   DRUG: Dihydrocodeine
Entry
D07831                      Drug                                   

Name
Dihydrocodeine (INN);
Remedacen (TN)
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
ATC code: N02AA08
Chemical structure group: DG00814
Product (DG00814): D01481<JP>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA08 Dihydrocodeine
      D07831  Dihydrocodeine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D07831  Dihydrocodeine (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D07831  Dihydrocodeine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07831  Dihydrocodeine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07831
Other DBs
CAS: 125-28-0
PubChem: 96024528
ChEMBL: CHEMBL1595
DrugBank: DB01551
LigandBox: D07831
NIKKAJI: J5.368F
LinkDB
KCF data

ATOM        22
            1   C1z C    23.5200  -18.5500
            2   C8y C    23.5200  -17.2900
            3   C1y C    24.6400  -19.2500
            4   C1y C    22.4000  -19.2500
            5   C1x C    24.4300  -17.6400
            6   C8y C    22.4000  -16.6600
            7   C8y C    24.6400  -16.6600
            8   C1y C    25.7600  -18.6200
            9   C1x C    24.6400  -20.5100
            10  O2x O    21.1400  -17.9200
            11  C1y C    22.4000  -20.5100
            12  C1x C    26.8800  -17.6400
            13  C8y C    22.4000  -15.3300
            14  C1x C    25.7600  -17.2900
            15  C8x C    24.6400  -15.3300
            16  N1y N    26.8800  -19.2500
            17  C1x C    23.5200  -21.2100
            18  C8x C    23.5200  -14.7000
            19  O2a O    21.2800  -14.7000
            20  O1a O    21.2800  -21.2100
            21  C1a C    20.0900  -15.4000
            22  C1a C    28.2800  -19.2500
BOND        26
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1

» Japanese version   » Back

KEGG   DRUG: Dihydrocodeine phosphate
Entry
D01481                      Drug                                   

Name
Dihydrocodeine phosphate (JP17);
Dihydro (TN)
Formula
C18H23NO3. H3PO4
Exact mass
399.1447
Mol weight
399.3753
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
Therapeutic category: 2242 8115
ATC code: N02AA08
Chemical structure group: DG00814
Product (DG00814): D01481<JP>
Product (mixture): D04313<JP> D04338<JP> D08695<JP> D08697<JP>
Efficacy
Antitussive, Narcotic, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA08 Dihydrocodeine
      D01481  Dihydrocodeine phosphate (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   224  Antitussives and expectorants
    2242  Codeines
     D01481  Dihydrocodeine phosphate (JP17)
 8  Narcotics
  81  Alkaloidal narcotics
   811  Opium alkaloids
    8115  Codeines
     D01481  Dihydrocodeine phosphate (JP17)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  26 Antitussives and expectorants
   D01481  Dihydrocodeine phosphate (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D01481  Dihydrocodeine phosphate (JP17)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D01481  Dihydrocodeine phosphate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D01481  Dihydrocodeine phosphate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01481  Dihydrocodeine phosphate
  D01481  1% dihydrocodeine phosphate powder
  D01481  10% dihydrocodeine phosphate powder
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01481
Other DBs
CAS: 24204-13-5
PubChem: 7848544
ChEBI: 31489
DrugBank: DB01551
LigandBox: D01481
NIKKAJI: J264.706K
LinkDB
KCF data

ATOM        27
            1   C1z C     7.1291  -11.7332
            2   C8y C     7.1349  -10.4399
            3   C1y C     8.2478  -12.3917
            4   C1y C     6.0047  -12.3917
            5   C1x C     8.0556  -10.8244
            6   C8y C     6.0280   -9.7816
            7   C8y C     8.2653   -9.8049
            8   C1y C     9.3839  -11.7507
            9   C1x C     8.2536  -13.6910
            10  O2x O     4.7521  -11.0749
            11  C1y C     6.0047  -13.6910
            12  C1x C    10.4850  -10.8127
            13  C8y C     6.0337   -8.4881
            14  C1x C     9.3897  -10.4516
            15  C8x C     8.2768   -8.5112
            16  N1y N    10.5084  -12.4091
            17  C1x C     7.1291  -14.3376
            18  C8x C     7.1641   -7.8471
            19  O2a O     4.9151   -7.8298
            20  O1a O     4.8799  -14.3415
            21  C1a C     3.7063   -8.5145
            22  C1a C    11.9044  -12.4091
            23  P1b P    16.2129  -11.4022
            24  O1c O    17.5248  -11.4141
            25  O1c O    14.9839  -11.4141
            26  O1c O    16.2720  -12.8330
            27  O1c O    16.2482   -9.7756
BOND        30
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1
            27   23  24 1
            28   23  25 1
            29   23  26 1
            30   23  27 2

» Japanese version   » Back

KEGG   DRUG: Dihydrocodeine bitartrate
Entry
D03825                      Drug                                   

Name
Dihydrocodeine bitartrate (USP)
Formula
C18H23NO3. C4H6O6
Exact mass
451.1842
Mol weight
451.467
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
ATC code: N02AA08
Chemical structure group: DG00814
Product (DG00814): D01481<JP>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Component of DHC plus (TN)
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA08 Dihydrocodeine
      D03825  Dihydrocodeine bitartrate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03825  Dihydrocodeine bitartrate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03825
Other DBs
CAS: 5965-13-9
PubChem: 17397911
LigandBox: D03825
NIKKAJI: J231.201H
LinkDB
KCF data

ATOM        32
            1   C1z C    24.6296  -16.0491
            2   C8y C    24.6354  -14.7521
            3   C1y C    25.7515  -16.7095
            4   C1y C    23.5019  -16.7095
            5   C1x C    25.5587  -15.1377
            6   C8y C    23.5253  -14.0919
            7   C8y C    25.7690  -14.1153
            8   C1y C    26.8908  -16.0667
            9   C1x C    25.7573  -18.0125
            10  O2x O    22.2457  -15.3889
            11  C1y C    23.5019  -18.0125
            12  C1x C    27.9951  -15.1260
            13  C8y C    23.5310  -12.7947
            14  C1x C    26.8966  -14.7638
            15  C8x C    25.7806  -12.8179
            16  N1y N    28.0186  -16.7270
            17  C1x C    24.6296  -18.6610
            18  C8x C    24.6647  -12.1519
            19  O2a O    22.4092  -12.1345
            20  O1a O    22.3739  -18.6649
            21  C1a C    21.1969  -12.8212
            22  C1a C    29.4186  -16.7270
            23  C1c C    35.4128  -15.8474
            24  C1c C    36.6002  -15.1490
            25  C6a C    34.1556  -15.1490
            26  O1a O    35.4128  -17.2443
            27  C6a C    37.7875  -15.8474
            28  O1a O    36.6002  -13.7521
            29  O6a O    32.9683  -15.8474
            30  O6a O    34.1556  -13.7521
            31  O6a O    39.0447  -15.1490
            32  O6a O    37.7875  -17.2443
BOND        35
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1
            27   23  24 1
            28   23  25 1
            29   23  26 1 #Up
            30   24  27 1
            31   24  28 1 #Up
            32   25  29 1
            33   25  30 2
            34   27  31 1
            35   27  32 2

» Japanese version   » Back

KEGG   DRUG: Dihydrocodeine thiocyanate
Entry
D07832                      Drug                                   

Name
Dihydrocodeine thiocyanate;
Paracodin (TN)
Formula
C18H23NO3. CHNS
Exact mass
360.1508
Mol weight
360.4705
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Remark
ATC code: N02AA08
Chemical structure group: DG00814
Product (DG00814): D01481<JP>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opioid alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA08 Dihydrocodeine
      D07832  Dihydrocodeine thiocyanate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07832  Dihydrocodeine thiocyanate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07832
Other DBs
CAS: 84824-87-3
PubChem: 96024529
LigandBox: D07832
NIKKAJI: J311.720K
LinkDB
KCF data

ATOM        25
            1   C1z C    20.6500  -18.9700
            2   C8y C    20.6500  -17.7100
            3   C1y C    21.7700  -19.6700
            4   C1y C    19.5300  -19.6700
            5   C1x C    21.5600  -18.0600
            6   C8y C    19.5300  -17.0800
            7   C8y C    21.7700  -17.0800
            8   C1y C    22.8900  -19.0400
            9   C1x C    21.7700  -20.9300
            10  O2x O    18.2700  -18.3400
            11  C1y C    19.5300  -20.9300
            12  C1x C    24.0100  -18.0600
            13  C8y C    19.5300  -15.7500
            14  C1x C    22.8900  -17.7100
            15  C8x C    21.7700  -15.7500
            16  N1y N    24.0100  -19.6700
            17  C1x C    20.6500  -21.6300
            18  C8x C    20.6500  -15.1200
            19  O2a O    18.4100  -15.1200
            20  O1a O    18.4100  -21.6300
            21  C1a C    17.2900  -15.8200
            22  C1a C    25.4100  -19.6700
            23  S1a S    31.0100  -18.3400
            24  C3b C    29.6100  -18.3400
            25  N3a N    28.1400  -18.3400
BOND        28
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1
            27   23  24 1
            28   24  25 3

» Japanese version   » Back

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