KEGG   COMPOUND: C07253Help
Entry
C07253                      Compound                               

Name
Naltrexone
Formula
C20H23NO4
Exact mass
341.1627
Mol weight
341.4009
Structure
Mol fileKCF fileDB search
Remark
Same as: D05113
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB04 Naltrexone
      D05113  Naltrexone (USAN/INN) <US>
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Alcohol Deterrents/Anti-craving
   Naltrexone
    D05113  Naltrexone (USAN/INN)
  Opioid Dependence Treatments
   Naltrexone
    D05113  Naltrexone (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05113  Naltrexone (USAN/INN) <US>
    OPRK1
     D05113  Naltrexone (USAN/INN) <US>
    OPRD1
     D05113  Naltrexone (USAN/INN) <US>
BRITE hierarchy
Other DBs
CAS: 16590-41-3
PubChem: 9462
ChEBI: 7465
ChEMBL: CHEMBL19019
NIKKAJI: J9.044A
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1z C    29.4000  -17.5000
            2   C8y C    29.4000  -16.1700
            3   C1z C    30.5900  -18.2000
            4   C1y C    28.2800  -18.1300
            5   C1x C    30.5900  -16.8700
            6   C8y C    28.2800  -15.5400
            7   C8y C    30.5900  -15.5400
            8   C1y C    31.7100  -17.5000
            9   C1x C    30.5900  -19.4600
            10  O2x O    27.0200  -16.8000
            11  C5x C    28.2800  -19.4600
            12  C1x C    32.8300  -16.8700
            13  C8y C    28.2800  -14.2100
            14  C1x C    31.7100  -16.2400
            15  C8x C    30.5900  -14.2100
            16  N1y N    32.8300  -18.2000
            17  C1x C    29.4000  -20.1600
            18  C8x C    29.4700  -13.5800
            19  O1a O    27.2300  -13.5800
            20  O1a O    31.8500  -19.1100
            21  C1b C    34.2300  -18.2000
            22  C1y C    34.9300  -19.3900
            23  C1x C    34.9300  -20.7900
            24  C1x C    36.1200  -20.0900
            25  O5x O    27.0900  -20.1600
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   13  18 2
            18   13  19 1
            19    6  10 1
            20    8  14 1
            21   11  17 1
            22   12  16 1
            23   15  18 1
            24    3  20 1 #Up
            25   16  21 1
            26   21  22 1
            27   22  23 1
            28   22  24 1
            29   23  24 1
            30   11  25 2

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