KEGG   COMPOUND: C13441
Entry
C13441                      Compound                               
Name
Dimethylaminoethyl reserpilinate dihydrochloride;
Paratensiol
Formula
C26H35N3O5. 2HCl
Exact mass
541.211
Mol weight
542.4951
Structure
Remark
Same as: D01950
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01738  Centrally-acting antiadrenergic
   DG01737  Rauwolfia alkaloid
    D01950  Dimethylaminoethyl reserpilinate dihydrochloride
Other DBs
CAS: 3735-84-0
PubChem: 586182
ChEBI: 34716
NIKKAJI: J220.212C
LinkDB
KCF data

ATOM        36
            1   C8y C    25.8725  -12.3111
            2   C8y C    25.8725  -13.7014
            3   C8x C    27.1238  -14.3965
            4   C8y C    28.3055  -13.7014
            5   C8y C    28.3055  -12.3111
            6   C8x C    27.1238  -11.6160
            7   N4x N    29.6262  -14.1880
            8   C8y C    30.4604  -13.0063
            9   C8y C    29.6262  -11.8941
            10  O2a O    24.6908  -11.6160
            11  C1a C    23.4396  -12.3111
            12  O2a O    24.6908  -14.3965
            13  C1a C    23.4396  -13.7014
            14  C1y C    31.8506  -12.9862
            15  C1x C    32.5719  -14.1948
            16  N1y N    32.5198  -11.7876
            17  C1x C    33.9360  -11.7678
            18  C1x C    31.8001  -10.5816
            19  C1x C    30.3912  -10.6021
            20  C1y C    33.9360  -14.2449
            21  C1y C    34.6422  -12.9525
            22  C2y C    34.6544  -15.3783
            23  C1y C    36.0215  -12.9332
            24  O2x O    36.7351  -14.1299
            25  C2x C    36.0575  -15.4126
            26  C7a C    33.9819  -16.6691
            27  O7a O    32.6153  -16.6269
            28  O6a O    34.7171  -17.8154
            29  C1a C    36.6980  -11.7223
            30  C1b C    31.9473  -17.8402
            31  C1b C    30.5299  -17.8684
            32  N1c N    29.8573  -19.0889
            33  C1a C    28.4445  -19.1165
            34  C1a C    30.5854  -20.2936
            35  X   Cl   25.3164  -16.9685
            36  X   Cl   25.3164  -16.9685
BOND        38
            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 2
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13    2  12 1
            14   12  13 1
            15    8  14 1
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   16  18 1
            20   18  19 1
            21   19   9 1
            22   15  20 1
            23   17  21 1
            24   20  22 1
            25   21  23 1
            26   21  20 1
            27   23  24 1
            28   24  25 1
            29   22  25 2
            30   22  26 1
            31   26  27 1
            32   26  28 2
            33   23  29 1 #Down
            34   27  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   32  34 1
BRACKET     1    23.8000  -17.7100   23.8000  -15.9600
            1    26.0400  -15.9600   26.0400  -17.7100
            1  2
 ORIGINAL  1   38
 REPEAT    1   39

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