KEGG   COMPOUND: C07163Help
Entry
C07163                      Compound                               

Name
Methadone
Formula
C21H27NO
Exact mass
309.2093
Mol weight
309.4452
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Drug metabolism - cytochrome P450
Enzyme
1.14.13.-
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC02 Methadone
      D08195  Methadone (BAN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Methadone
    D08195  Methadone (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor
     Methadone
      D08195  Methadone (BAN)
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor
     Methadone
      D08195  Methadone (BAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Methadone
    D08195  Methadone (BAN)
 CYP substrates
  CYP2B6
   Methadone
    D08195  Methadone (BAN)
  CYP3A4
   Methadone
    D08195  Methadone (BAN)
BRITE hierarchy
Other DBs
CAS: 
76-99-3
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8x C    27.5800  -18.4800
            2   C8x C    27.5800  -19.8800
            3   C8x C    28.7700  -20.5800
            4   C8x C    29.9600  -19.8800
            5   C8y C    29.9600  -18.4800
            6   C8x C    28.7700  -17.8500
            7   C8x C    32.2700  -19.8800
            8   C8y C    32.2700  -18.4800
            9   C1d C    31.0800  -17.8500
            10  C8x C    33.4600  -20.5800
            11  C8x C    34.6500  -19.8800
            12  C8x C    34.6500  -18.4800
            13  C8x C    33.4600  -17.8500
            14  C1b C    31.0800  -16.4500
            15  C1c C    32.2700  -15.7500
            16  C5a C    29.1200  -16.7300
            17  C1a C    33.4600  -16.4500
            18  N1c N    32.2700  -14.4200
            19  C1a C    33.4600  -13.7200
            20  C1a C    31.0800  -13.7200
            21  O5a O    29.1200  -15.4000
            22  C1b C    27.9300  -17.4300
            23  C1a C    26.8100  -16.7300
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 1
            17    9  16 1
            18   15  17 1
            19   15  18 1
            20   18  19 1
            21   18  20 1
            22   16  21 2
            23   16  22 1
            24   22  23 1

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