KEGG   DRUG: Disofenin
Entry
D03873                      Drug                                   
Name
Disofenin (USAN/INN)
Formula
C18H26N2O5
Exact mass
350.1842
Mol weight
350.4094
Structure
Simcomp
Efficacy
Diagnostic aid (carrier agent)
Comment
Methyliminodiacetic acid derivative
Other DBs
CAS: 65717-97-7
PubChem: 17397957
LigandBox: D03873
NIKKAJI: J19.829C
LinkDB
KCF data

ATOM        25
            1   C8x C    11.9700  -23.1700
            2   C8x C    11.9700  -24.5700
            3   C8x C    13.1824  -25.2700
            4   C8y C    14.3949  -24.5700
            5   C8y C    14.3949  -23.1700
            6   C8y C    13.1824  -22.4700
            7   N1b N    15.6260  -22.4590
            8   C5a C    16.8312  -23.1547
            9   C1b C    18.0135  -22.4719
            10  O5a O    16.8316  -24.5696
            11  N1c N    19.2075  -23.1612
            12  C1b C    20.3954  -22.4752
            13  C1b C    19.2077  -24.5697
            14  C6a C    20.3994  -25.2578
            15  O6a O    21.5845  -24.5735
            16  O6a O    20.3997  -26.6697
            17  C6a C    20.3954  -21.0752
            18  O6a O    21.5908  -20.3848
            19  O6a O    19.1617  -20.3629
            20  C1c C    13.1824  -21.0702
            21  C1a C    11.9532  -20.3603
            22  C1a C    14.3780  -20.3798
            23  C1c C    15.7660  -25.4910
            24  C1a C    15.7660  -26.8910
            25  C1a C    17.1660  -25.4910
BOND        25
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   12  17 1
            18   17  18 1
            19   17  19 2
            20    6  20 1
            21   20  21 1
            22   20  22 1
            23    4  23 1
            24   23  24 1
            25   23  25 1

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