KEGG   DRUG: Lofentanil oxalate
Entry
D04764                      Drug                                   
Name
Lofentanil oxalate (USAN)
Formula
C25H32N2O3. C2H2O4
Exact mass
498.2366
Mol weight
498.57
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Efficacy
Analgesic (narcotic), Opioid receptor agonist
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]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG01563  mu-Opioid receptor agonist
    D04764  Lofentanil oxalate
 Analgesic
  DG01984  Opioid analgesics
   D04764  Lofentanil oxalate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D04764  Lofentanil oxalate (USAN)
Other DBs
CAS: 61380-41-4
PubChem: 47206579
LigandBox: D04764
NIKKAJI: J365.046D
LinkDB
KCF data

ATOM        36
            1   C6a C    30.5325  -27.0660
            2   C6a C    31.6601  -26.3612
            3   O6a O    29.3344  -26.3612
            4   O6a O    30.5325  -28.4754
            5   O6a O    32.8581  -27.0660
            6   O6a O    31.6601  -25.1631
            7   C8x C    14.6053  -27.0660
            8   C8x C    14.6053  -28.4754
            9   C8x C    15.8033  -29.1802
            10  C8x C    17.0719  -28.4754
            11  C8y C    17.0719  -27.0660
            12  C8x C    15.8033  -26.2907
            13  N1c N    18.3404  -26.2907
            14  C1z C    19.6090  -27.0660
            15  C1y C    19.6090  -28.4754
            16  C1x C    20.8070  -29.1802
            17  N1y N    22.0756  -28.4754
            18  C1x C    22.0756  -27.0660
            19  C1x C    20.8070  -26.2907
            20  C1b C    23.3441  -29.1802
            21  C1b C    24.5422  -28.4754
            22  C8y C    25.8107  -29.1802
            23  C5a C    18.3404  -24.8812
            24  O5a O    17.0719  -24.1765
            25  C1b C    19.6090  -24.1765
            26  C1a C    20.8070  -24.8812
            27  C7a C    18.7647  -27.8412
            28  O7a O    18.7647  -29.2507
            29  O6a O    17.7066  -27.5588
            30  C1a C    17.7061  -29.9554
            31  C8x C    25.8340  -30.5895
            32  C8x C    27.0660  -31.2740
            33  C8x C    28.2749  -30.5492
            34  C8x C    28.2516  -29.1399
            35  C8x C    27.0195  -28.4554
            36  C1a C    19.6090  -30.1554
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12   11  13 1
            13   14  13 1 #Down
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   14  19 1
            20   17  20 1
            21   20  21 1
            22   21  22 1
            23   13  23 1
            24   23  24 2
            25   23  25 1
            26   25  26 1
            27   14  27 1 #Up
            28   27  28 1
            29   27  29 2
            30   28  30 1
            31   22  31 2
            32   31  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   22  35 1
            37   15  36 1 #Down

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