KEGG   DRUG: Dioxadrol hydrochloride
Entry
D03851                      Drug                                   
Name
Dioxadrol hydrochloride (USAN)
Formula
C20H23NO2. HCl
Exact mass
345.1496
Mol weight
345.86
Structure
Simcomp
Efficacy
Antidepressant
Other DBs
CAS: 3666-69-1
PubChem: 17397937
LigandBox: D03851
LinkDB
KCF data

ATOM        24
            1   C8x C    30.9723  -17.1192
            2   C8x C    30.9723  -18.5216
            3   C8x C    29.7803  -19.2228
            4   C8x C    28.5181  -18.5216
            5   C8y C    28.5181  -17.1192
            6   C8x C    29.7803  -16.4180
            7   C8x C    26.1341  -18.5216
            8   C8y C    26.1341  -17.1192
            9   C1z C    27.3261  -16.4180
            10  C8x C    24.8719  -19.2228
            11  C8x C    23.6799  -18.5216
            12  C8x C    23.6799  -17.1192
            13  C8x C    24.8719  -16.4180
            14  O2x O    26.2042  -15.5765
            15  C1x C    26.6249  -14.2443
            16  C1y C    28.0273  -14.2443
            17  O2x O    28.4480  -15.5765
            18  C1y C    28.8687  -13.1223
            19  C1x C    30.2711  -13.1223
            20  N1x N    28.1675  -11.9303
            21  C1x C    28.8687  -10.7383
            22  C1x C    30.2711  -10.7383
            23  C1x C    30.9723  -11.9303
            24  X   Cl   32.7954  -15.5064
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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    9  17 1
            20   16  18 1
            21   18  19 1
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   19  23 1

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