KEGG   DRUG: Trefentanil hydrochloride
Entry
D06208                      Drug                                   
Name
Trefentanil hydrochloride (USAN)
Formula
C25H31FN6O2. HCl
Exact mass
502.2259
Mol weight
503.01
Structure
Class
Analgesic
 DG01984  Opioid analgesics
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Comment
Phenylpiperidine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   D06208  Trefentanil hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D06208  Trefentanil hydrochloride (USAN)
Other DBs
CAS: 120656-93-1
PubChem: 47207866
LigandBox: D06208
LinkDB
KCF data

ATOM        35
            1   X   Cl   30.5200  -25.3400
            2   C8x C    15.9600  -27.4400
            3   C8x C    15.9600  -28.8400
            4   C8x C    17.1500  -29.5400
            5   C8x C    18.4100  -28.8400
            6   C8y C    18.4100  -27.4400
            7   C8y C    17.1500  -26.7400
            8   N1c N    19.6000  -26.7400
            9   C1z C    20.8600  -27.4400
            10  C1x C    20.8600  -28.8400
            11  C1x C    22.0500  -29.5400
            12  N1y N    23.2400  -28.8400
            13  C1x C    23.2400  -27.4400
            14  C1x C    22.0500  -26.7400
            15  C1b C    24.5000  -29.5400
            16  C1b C    25.6900  -28.8400
            17  N4y N    26.8800  -29.5400
            18  N5x N    27.2300  -30.8700
            19  N5x N    28.6300  -30.8700
            20  N4y N    29.1200  -29.6100
            21  C8y C    28.0000  -28.7700
            22  C5a C    19.6000  -25.3400
            23  O5a O    18.4100  -24.6400
            24  C1b C    20.8600  -24.6400
            25  C1a C    22.0500  -25.3400
            26  O5x O    28.0000  -27.3700
            27  C1b C    30.3100  -28.9100
            28  C1a C    31.5000  -29.6100
            29  X   F    17.1328  -25.3401
            30  C8x C    18.3400  -29.7500
            31  C8x C    18.3400  -31.1500
            32  C8x C    19.5524  -31.8500
            33  C8x C    20.7649  -31.1500
            34  C8x C    20.7649  -29.7500
            35  C8y C    19.5524  -29.0500
BOND        37
            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   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   17  21 1
            23    8  22 1
            24   22  23 2
            25   22  24 1
            26   24  25 1
            27   21  26 2
            28   27  28 1
            29   27  20 1
            30    7  29 1
            31   30  31 2
            32   31  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   30  35 1
            37    9  35 1

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