KEGG   COMPOUND: C07421
Entry
C07421                      Compound                               
Name
Pentazocine
Formula
C19H27NO
Exact mass
285.2093
Mol weight
285.4238
Structure
Remark
Same as: D00498
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D00498  Pentazocine (JP18/USP/INN) <JP>
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
     D00498  Pentazocine (JP18/USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG00819  Pentazocine
    D00498  Pentazocine
 Analgesic
  DG01984  Opioid analgesics
   DG00819  Pentazocine
    D00498  Pentazocine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00498  Pentazocine (JP18/USP/INN) <JP>
    OPRK1
     D00498  Pentazocine (JP18/USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00498  Pentazocine
Narcotics and psychotropics in Japan [br08308.html]
 Psychotropics by Control Act Article 2 Table 31 (10 substances)
  D00498
Other DBs
CAS: 359-83-1
PubChem: 9625
ChEBI: 7982
NIKKAJI: J252.834G
KCF data

ATOM        21
            1   C1z C    29.3300  -17.5700
            2   C8y C    29.3300  -16.2400
            3   C1y C    30.5900  -18.2700
            4   C1a C    28.2100  -18.2000
            5   C1x C    30.5900  -16.9400
            6   C8x C    28.2100  -15.6100
            7   C8y C    30.5900  -15.6100
            8   C1y C    31.7100  -17.5700
            9   C1x C    32.8300  -16.9400
            10  C8y C    28.2100  -14.2800
            11  C1x C    31.7100  -16.3100
            12  C8x C    30.5900  -14.2800
            13  N1y N    32.8300  -18.2700
            14  C8x C    29.4000  -13.5800
            15  O1a O    27.0900  -13.5800
            16  C1b C    34.2300  -18.2700
            17  C2b C    35.0000  -19.5300
            18  C1a C    30.5900  -19.7400
            19  C2c C    36.4000  -19.5300
            20  C1a C    37.1000  -20.7900
            21  C1a C    37.1000  -18.2700
BOND        23
            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     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    8  13 1 #Up
            13   10  14 2
            14   10  15 1
            15    8  11 1
            16    9  13 1
            17   12  14 1
            18   13  16 1
            19   16  17 1
            20    3  18 1 #Down
            21   17  19 2
            22   19  20 1
            23   19  21 1

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (5)   
   NIKKAJI (1)   
All databases (11)   

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