KEGG   DRUG: D00836Help
Entry
D00836                      Drug                                   

Name
Buprenorphine hydrochloride (JP16/USP);
Buprenex (TN)
Product
  Generic
Formula
C29H41NO4. HCl
Exact mass
503.2802
Mol weight
504.1011
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Analgesic
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
kappa-opioid receptor antagonist [HSA:4986] [KO:K04214];
mu-opioid receptor partial agonist [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Structure map
Opioid analgesics
Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AE Oripavine derivatives
     N02AE01 Buprenorphine
      D00836  Buprenorphine hydrochloride (JP16/USP)
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC01 Buprenorphine
      D00836  Buprenorphine hydrochloride (JP16/USP)
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Opioid Dependence Treatments
   Buprenorphine
    D00836  Buprenorphine hydrochloride (JP16/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
     D00836  Buprenorphine hydrochloride (JP16/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor
     Buprenorphine
      D00836  Buprenorphine hydrochloride (JP16/USP)
    kappa-opioid receptor
     Buprenorphine
      D00836  Buprenorphine hydrochloride (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00836  Buprenorphine hydrochloride
BRITE hierarchy
Other DBs
CAS: 
53152-21-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   X   Cl   23.5865  -20.2981
            2   C1z C    16.6051  -15.0621
            3   C1z C    17.7919  -15.7602
            4   C1y C    15.4182  -15.7602
            5   C8y C    16.6051  -13.7356
            6   C1x C    17.7919  -14.3639
            7   C1y C    18.9787  -15.0621
            8   C1x C    17.7919  -17.1565
            9   C1x C    17.2334  -16.8074
            10  C1z C    15.4182  -17.0867
            11  O2x O    14.7899  -14.2243
            12  C8y C    15.4880  -13.0375
            13  C8y C    17.8617  -13.0375
            14  C1x C    20.1656  -14.3639
            15  N1y N    20.1656  -15.7602
            16  C1x C    18.9785  -13.7356
            17  C1y C    16.6051  -17.7848
            18  C1x C    16.0466  -16.1093
            19  C8y C    15.4880  -11.6412
            20  C8x C    17.8617  -11.6412
            21  C1b C    21.3524  -15.1319
            22  C8x C    16.6749  -10.9431
            23  O1a O    14.3012  -10.9431
            24  C1y C    22.5392  -15.8300
            25  C1x C    23.2374  -17.0169
            26  C1x C    23.9355  -15.8300
            27  O2a O    14.0220  -17.0867
            28  C1a C    13.3238  -15.8998
            29  C1d C    17.3032  -18.9717
            30  C1a C    18.6995  -18.9717
            31  C1d C    16.6051  -20.1585
            32  O1a O    18.0013  -20.1585
            33  C1a C    15.2088  -20.1585
            34  C1a C    17.3032  -21.3453
            35  C1a C    15.7673  -21.4151
BOND        40
            1     2   6 1 #Up
            2     3   7 1
            3     3   8 1
            4     3   9 1 #Down
            5     4  10 1
            6     4  11 1 #Down
            7     5  12 1
            8     5  13 2
            9     6  14 1
            10    7  15 1 #Up
            11    7  16 1
            12    8  17 1
            13    9  18 1
            14   12  19 2
            15   13  20 1
            16   15  21 1
            17   19  22 1
            18   19  23 1
            19   10  17 1
            20   10  18 1 #Down
            21   11  12 1
            22   13  16 1
            23   15  14 1 #Up
            24   20  22 2
            25    2   3 1
            26   21  24 1
            27    2   4 1
            28    2   5 1
            29   24  25 1
            30   24  26 1
            31   26  25 1
            32   10  27 1
            33   27  28 1
            34   17  29 1
            35   29  30 1 #Up
            36   29  31 1
            37   29  32 1 #Down
            38   31  33 1
            39   31  34 1
            40   31  35 1

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