KEGG   COMPOUND: C22725
Entry
C22725                      Compound                               
Name
Isotonitazene;
1-(Diethylamino)ethyl-2-(4-isopropoxybenzyl)-5-nitrobenzimidazole
Formula
C23H30N4O3
Exact mass
410.2318
Mol weight
410.51
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22725
Other DBs
CAS: 14188-81-9
PubChem: 497620080
ChEBI: 234360
LinkDB
KCF data

ATOM        30
            1   C8x C    21.4159  -20.9542
            2   C8y C    22.0744  -19.7610
            3   C8x C    22.1393  -22.1528
            4   C8y C    23.5390  -22.1257
            5   C8x C    24.1974  -20.9325
            6   C8x C    23.4741  -19.7339
            7   O2a O    24.2623  -23.3244
            8   C1c C    25.6621  -23.2973
            9   C1a C    26.3205  -22.1041
            10  C1a C    26.3854  -24.4960
            11  C8x C    15.5118  -17.6876
            12  C8y C    15.5118  -19.0914
            13  C8x C    16.7050  -19.7933
            14  C8y C    17.9684  -19.0914
            15  C8y C    17.9684  -17.6876
            16  C8x C    16.7050  -16.9857
            17  N5x N    19.3019  -19.5125
            18  C8y C    20.0740  -18.3895
            19  N4y N    19.3019  -17.2665
            20  C1b C    21.2672  -15.7925
            21  C1b C    19.8634  -15.9329
            22  N1c N    21.8431  -14.5165
            23  C1b C    21.0259  -13.3797
            24  C1b C    23.2361  -14.3772
            25  C1a C    23.8120  -13.1011
            26  C1a C    21.6018  -12.1036
            27  C1b C    21.4740  -18.3895
            28  O3a O    13.0869  -19.0914 #-
            29  N2b N    14.2993  -19.7914 #+
            30  O3a O    14.2993  -21.1914
BOND        32
            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     8   9 1
            10    8  10 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   14  17 1
            18   17  18 2
            19   15  19 1
            20   20  21 1
            21   19  21 1
            22   20  22 1
            23   22  23 1
            24   22  24 1
            25   24  25 1
            26   23  26 1
            27   18  19 1
            28   18  27 1
            29    2  27 1
            30   28  29 1
            31   12  29 1
            32   29  30 2

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