KEGG   DRUG: Pentazocine hydrochloride
Entry
D02227                      Drug                                   

Name
Pentazocine hydrochloride (JAN/USP);
Sosegon (TN);
Talacen (TN)
Formula
C19H27NO. HCl
Exact mass
321.1859
Mol weight
321.8847
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Therapeutic category: 1149
ATC code: N02AD01
Chemical structure group: DG00819
Product (DG00819): D00498<JP> D02227<JP>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Benzomorphan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D02227  Pentazocine hydrochloride (JAN/USP) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Pentazocine
    D02227  Pentazocine hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D02227  Pentazocine hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02227  Pentazocine hydrochloride (JAN/USP) <JP>
    OPRK1
     D02227  Pentazocine hydrochloride (JAN/USP) <JP>
Other DBs
CAS: 64024-15-3
PubChem: 7849286
DrugBank: DB00652
LigandBox: D02227
NIKKAJI: J355.237C
LinkDB
KCF data

ATOM        22
            1   X   Cl   38.7586  -17.6371
            2   C1z C    32.2000  -20.1600
            3   C8y C    32.2000  -18.8300
            4   C1y C    33.4600  -20.8600
            5   C1a C    31.0800  -20.7900
            6   C1x C    33.4600  -19.5300
            7   C8x C    31.0800  -18.2000
            8   C8y C    33.4600  -18.2000
            9   C1y C    34.5800  -20.1600
            10  C1x C    35.7000  -19.5300
            11  C8y C    31.0800  -16.8700
            12  C1x C    34.5800  -18.9000
            13  C8x C    33.4600  -16.8700
            14  N1y N    35.7000  -20.8600
            15  C8x C    32.2700  -16.1700
            16  O1a O    29.9600  -16.1700
            17  C1b C    37.1000  -20.8600
            18  C2b C    37.8700  -22.1200
            19  C1a C    33.4600  -22.3300
            20  C2c C    39.2700  -22.1200
            21  C1a C    39.9700  -23.3800
            22  C1a C    39.9700  -20.8600
BOND        23
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     6  10 1
            9     7  11 1
            10    8  12 1
            11    8  13 2
            12    9  14 1 #Up
            13   11  15 2
            14   11  16 1
            15    9  12 1
            16   10  14 1
            17   13  15 1
            18   14  17 1
            19   17  18 1
            20    4  19 1 #Down
            21   18  20 2
            22   20  21 1
            23   20  22 1

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