KEGG   DRUG: Methadyl acetateHelp
Entry
D04973                      Drug                                   

Name
Methadyl acetate (USAN);
Acetylmethadol (INN)
Formula
C23H31NO2
Exact mass
353.2355
Mol weight
353.4977
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D04973  Methadyl acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 509-74-0
PubChem: 47206706
ChEMBL: CHEMBL170179
LigandBox: D04973
NIKKAJI: J6.254E
KCF data Show

ATOM        26
            1   C8x C    12.5834  -17.3153
            2   C8x C    12.5834  -18.6797
            3   C8x C    13.7651  -19.3619
            4   C8x C    14.9468  -18.6797
            5   C8y C    14.9468  -17.3153
            6   C8x C    13.7651  -16.6331
            7   C8x C    17.3100  -18.6797
            8   C8y C    17.3100  -17.3153
            9   C1d C    16.1284  -16.6331
            10  C8x C    18.4917  -19.3619
            11  C8x C    19.6733  -18.6797
            12  C8x C    19.6733  -17.3153
            13  C8x C    18.4917  -16.6331
            14  C1b C    16.1284  -15.2686
            15  C1c C    17.3120  -14.5852
            16  C1c C    14.1281  -15.5415
            17  C1a C    18.4781  -15.2587
            18  N1c N    17.3120  -13.2222
            19  C1a C    18.4777  -12.5490
            20  C1a C    16.1144  -12.5306
            21  O7a O    14.1281  -14.1771
            22  C1b C    12.9686  -16.2197
            23  C1a C    11.8032  -15.5554
            24  C7a C    12.9388  -13.4908
            25  C1a C    11.7268  -14.1910
            26  O6a O    12.9386  -12.1100
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17    9  16 1
            18   15  17 1
            19   15  18 1
            20   18  19 1
            21   18  20 1
            22   16  21 1
            23   16  22 1
            24   22  23 1
            25   21  24 1
            26   24  25 1
            27   24  26 2

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