KEGG   DRUG: DihydrocodeineHelp
Entry
D07831                      Drug                                   

Name
Dihydrocodeine (INN);
Remedacen (TN)
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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
BRITE hierarchy
Other DBs
CAS: 125-28-0
PubChem: 96024528
ChEMBL: CHEMBL1595
DrugBank: DB01551
LigandBox: D07831
NIKKAJI: J5.368F
LinkDB All DBs
KCF data Show

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 phosphateHelp
Entry
D01481                      Drug                                   

Name
Dihydrocodeine phosphate (JP17);
Dihydro (TN)
Formula
C18H23NO3. H3PO4
Exact mass
399.1447
Mol weight
399.3753
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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
BRITE hierarchy
Other DBs
CAS: 24204-13-5
PubChem: 7848544
ChEBI: 31489
DrugBank: DB01551
LigandBox: D01481
NIKKAJI: J264.706K
LinkDB All DBs
KCF data Show

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 bitartrateHelp
Entry
D03825                      Drug                                   

Name
Dihydrocodeine bitartrate (USP)
Formula
C18H23NO3. C4H6O6
Exact mass
451.1842
Mol weight
451.467
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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
BRITE hierarchy
Other DBs
CAS: 5965-13-9
PubChem: 17397911
LigandBox: D03825
NIKKAJI: J231.201H
LinkDB All DBs
KCF data Show

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 thiocyanateHelp
Entry
D07832                      Drug                                   

Name
Dihydrocodeine thiocyanate;
Paracodin (TN)
Formula
C18H23NO3. CHNS
Exact mass
360.1508
Mol weight
360.4705
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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
BRITE hierarchy
Other DBs
CAS: 84824-87-3
PubChem: 96024529
LigandBox: D07832
NIKKAJI: J311.720K
LinkDB All DBs
KCF data Show

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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