KEGG   DRUG: Isomethadone
Entry
D12676                      Drug                                   
Name
Isomethadone (INN)
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.44
Structure
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Efficacy
Analgesic (narcotic), Opioid receptor agonist
Target
OPRD1 [HSA:4985] [KO:K04213]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   D12676  Isomethadone
 Analgesic
  DG01984  Opioid analgesics
   D12676  Isomethadone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D12676  Isomethadone (INN)
    OPRD1
     D12676  Isomethadone (INN)
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Control Act Article 2 Table 1 (74 substances)
  D12676
Other DBs
CAS: 466-40-0
PubChem: 497621089
LinkDB
KCF data

ATOM        23
            1   C8x C     5.9051  -27.9496
            2   C8x C     5.9051  -29.3456
            3   C8x C     7.0219  -30.0436
            4   C8x C     8.2084  -29.3456
            5   C8y C     8.2084  -27.9496
            6   C8x C     7.0219  -27.3214
            7   C8x C    10.5117  -29.3456
            8   C8y C    10.5117  -27.9496
            9   C1d C     9.3252  -27.3214
            10  C8x C    11.6285  -30.0436
            11  C8x C    12.8151  -29.3456
            12  C8x C    12.8151  -27.9496
            13  C8x C    11.6285  -27.3214
            14  C5a C     7.3008  -26.2045
            15  O5a O     7.3008  -24.8085
            16  C1b C     6.1841  -26.9025
            17  C1a C     5.0673  -26.2045
            18  C1c C     9.3252  -25.9214
            19  C1b C    10.5353  -25.2227
            20  C1a C     8.0920  -25.2097
            21  N1c N    10.5353  -23.8227
            22  C1a C    11.7836  -23.1021
            23  C1a C     9.3397  -23.1319
BOND        24
            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 2
            17   14  16 1
            18   16  17 1
            19    9  18 1
            20   18  19 1
            21   18  20 1
            22   19  21 1
            23   21  22 1
            24   21  23 1

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