KEGG   DRUG: D05217Help
Entry
D05217                      Drug                                   

Name
Ocfentanil hydrochloride (USAN)
Formula
C22H27FN2O2. HCl
Exact mass
406.1823
Mol weight
406.9213
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Analgesic [narcotic]
Target
mu-opioid receptor agonist [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Structure map
Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor
     Ocfentanil
      D05217  Ocfentanil hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
112964-97-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   X   Cl   29.6489  -25.7248
            2   C8x C    17.0995  -27.0568
            3   C8x C    17.0995  -28.4590
            4   C8x C    18.3137  -29.1601
            5   C8x C    19.5281  -28.4590
            6   C8y C    19.5281  -27.0568
            7   C8y C    18.3137  -26.3558
            8   N1c N    20.7611  -26.3447
            9   C1y C    21.9682  -27.0415
            10  C1x C    21.9686  -28.4586
            11  C1x C    23.1831  -29.1594
            12  N1y N    24.3973  -28.4579
            13  C1x C    24.3968  -27.0407
            14  C1x C    23.1823  -26.3400
            15  C5a C    20.7608  -24.9537
            16  O5a O    19.5346  -24.2459
            17  C1b C    21.9632  -24.2591
            18  O2a O    23.1550  -24.9471
            19  C1a C    24.3467  -24.2587
            20  X   F    18.3137  -24.9538
            21  C1b C    25.6073  -29.1561
            22  C1b C    26.8011  -28.4663
            23  C8y C    27.9924  -29.1537
            24  C8x C    27.9930  -30.5620
            25  C8x C    29.2076  -31.2627
            26  C8x C    30.4216  -30.5611
            27  C8x C    30.4211  -29.1527
            28  C8x C    29.2065  -28.4521
BOND        29
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15    8  15 1
            16   15  16 2
            17   15  17 1
            18   17  18 1
            19   18  19 1
            20    7  20 1
            21   12  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   23  28 1

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