KEGG   DRUG: MethopholineHelp
Entry
D04986                      Drug                                   

Name
Methopholine (USAN)
Formula
C20H24ClNO2
Exact mass
345.1496
Mol weight
345.8631
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Analgesic
Other DBs
CAS: 2154-02-1
PubChem: 47206716
ChEMBL: CHEMBL2106915
LigandBox: D04986
NIKKAJI: J7.338E
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C     9.3100  -17.5000
            2   C8y C     9.3100  -18.9000
            3   C8x C    10.5224  -19.6000
            4   C8y C    11.7349  -18.9000
            5   C8y C    11.7349  -17.5000
            6   C8x C    10.5224  -16.8000
            7   C1x C    12.9473  -19.6000
            8   C1x C    14.1597  -18.9000
            9   N1y N    14.1597  -17.5000
            10  C1y C    12.9473  -16.8000
            11  O2a O     8.0976  -16.8000
            12  C1a C     6.8851  -17.5000
            13  C1a C     6.8851  -18.9000
            14  O2a O     8.0976  -19.6000
            15  C1a C    15.3573  -16.8085
            16  C1b C    12.9473  -15.4000
            17  C1b C    14.1618  -14.6988
            18  C8y C    14.1618  -13.3002
            19  C8x C    15.3579  -12.6095
            20  C8x C    15.3578  -11.2095
            21  C8y C    14.1453  -10.5096
            22  C8x C    12.9492  -11.2003
            23  C8x C    12.9493  -12.6003
            24  X   Cl   14.1452   -9.1000
BOND        26
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   13  14 1
            15    2  14 1
            16    9  15 1
            17   10  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 1

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