KEGG   DRUG: OxetoroneHelp
Entry
D08312                      Drug                                   

Name
Oxetorone (INN)
Formula
C21H21NO2
Exact mass
319.1572
Mol weight
319.3969
Structure
Mol fileKCF fileDB search
Remark
ATC code: N02CX06
Chemical structure group: DG00844
Efficacy
Antimigraine
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02C ANTIMIGRAINE PREPARATIONS
    N02CX Other antimigraine preparations
     N02CX06 Oxetorone
      D08312  Oxetorone (INN)
BRITE hierarchy
Other DBs
CAS: 26020-55-3
PubChem: 96024999
LigandBox: D08312
NIKKAJI: J19.993A
KCF data Show

ATOM        24
            1   C8y C    26.1800  -19.9500
            2   O2x O    25.2700  -21.0700
            3   C1x C    23.8700  -21.0700
            4   C8y C    23.0300  -20.0200
            5   C8y C    25.8300  -18.5500
            6   C8y C    23.3100  -18.6200
            7   C2y C    24.5700  -17.9900
            8   C8x C    27.5100  -20.3700
            9   C8x C    28.4900  -19.3900
            10  C8x C    28.2100  -17.9900
            11  C8x C    26.8100  -17.6400
            12  C2b C    24.5700  -16.5900
            13  C1b C    25.8300  -15.8900
            14  C1b C    27.0200  -16.6600
            15  N1c N    28.2800  -16.0300
            16  C1a C    29.4000  -16.7300
            17  C1a C    28.2800  -14.6300
            18  O2x O    22.0500  -17.9200
            19  C8y C    21.0000  -18.9000
            20  C8y C    21.6300  -20.0200
            21  C8x C    19.6000  -18.9000
            22  C8x C    18.9000  -20.0900
            23  C8x C    19.6000  -21.2800
            24  C8x C    21.0000  -21.2800
BOND        27
            1     3   4 1
            2     1   5 1
            3     2   3 1
            4     5   7 1
            5     1   2 1
            6     6   7 1
            7     1   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    5  11 2
            12    7  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18    4   6 2
            19    6  18 1
            20   18  19 1
            21   19  20 1
            22    4  20 1
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  20 2

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (5)   

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