KEGG   COMPOUND: C22727
Entry
C22727                      Compound                               
Name
Metonitazene;
1-(Diethylamino)ethyl-2-(4-methoxybenzyl)-5-nitrobenzimidazole
Formula
C21H26N4O3
Exact mass
382.2005
Mol weight
382.4561
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  C22727
Other DBs
CAS: 14680-51-4
LinkDB
KCF data

ATOM        28
            1   C8x C    20.3230  -18.5769
            2   C8y C    20.9516  -17.3897
            3   C8x C    21.0214  -19.7642
            4   C8y C    22.4182  -19.7642
            5   C8x C    23.0467  -18.5769
            6   C8x C    22.3483  -17.3897
            7   O2a O    23.1166  -20.9514
            8   C1a C    24.5133  -20.9514
            9   C8x C    14.3868  -15.2945
            10  C8y C    14.3868  -16.7611
            11  C8x C    15.5740  -17.4595
            12  C8y C    16.9010  -16.7611
            13  C8y C    16.9010  -15.2945
            14  C8x C    15.5740  -14.5962
            15  N5x N    18.2279  -17.1802
            16  C8y C    18.9961  -16.0628
            17  N4y N    18.2279  -14.8755
            18  C1b C    20.1834  -13.4089
            19  C1b C    18.7866  -13.5486
            20  N1c N    20.7421  -12.1518
            21  C1b C    19.9040  -11.0344
            22  C1b C    22.1388  -12.0121
            23  C1a C    22.6975  -10.7551
            24  C1a C    20.4627   -9.7773
            25  C1b C    20.3929  -16.0628
            26  O3a O    12.0123  -16.7611 #-
            27  N2b N    13.1996  -17.4595 #+
            28  O3a O    13.1996  -18.8563
BOND        30
            1     1   2 2
            2     1   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     2   6 1
            7     4   7 1
            8     7   8 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   12  15 1
            16   15  16 2
            17   13  17 1
            18   18  19 1
            19   17  19 1
            20   18  20 1
            21   20  21 1
            22   20  22 1
            23   22  23 1
            24   21  24 1
            25   16  17 1
            26   16  25 1
            27    2  25 1
            28   26  27 1
            29   10  27 1
            30   27  28 2

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