KEGG   COMPOUND: C08027Help
Entry
C08027                      Compound                               

Name
Nalmefene
Formula
C21H25NO3
Exact mass
339.1834
Mol weight
339.4281
Structure
Mol fileKCF fileDB search
Remark
Same as: D05111
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
     N07BB05 Nalmefene
      D05111  Nalmefene (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D05111  Nalmefene (USAN/INN)
    OPRK1
     D05111  Nalmefene (USAN/INN)
    OPRD1
     D05111  Nalmefene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 55096-26-9
PubChem: 10227
ChEBI: 7457
ChEMBL: CHEMBL982
NIKKAJI: J23.288B
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  C2y 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  C2a C    27.2300  -20.1600
            19  C8x C    29.4700  -13.5800
            20  O1a O    27.2300  -13.5800
            21  O1a O    31.8500  -19.1100
            22  C1b C    34.2300  -18.2000
            23  C1y C    34.9300  -19.3900
            24  C1x C    34.9300  -20.7900
            25  C1x C    36.1200  -20.0900
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   11  18 2
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   22  23 1
            28   23  24 1
            29   23  25 1
            30   24  25 1

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