KEGG   COMPOUND: C22701
Entry
C22701                      Compound                               
Name
N-Pyrrolidino etonitazene;
Etonitazepyne
Formula
C22H26N4O3
Exact mass
394.2005
Mol weight
394.47
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22701
Other DBs
PubChem: 497620056
LinkDB
KCF data

ATOM        29
            1   C8x C    14.4154  -15.4598
            2   C8y C    14.4154  -16.8588
            3   C8x C    15.6045  -17.5583
            4   C8y C    16.8636  -16.8588
            5   C8y C    16.8636  -15.4598
            6   C8x C    15.6045  -14.7603
            7   N5x N    18.1927  -17.2785
            8   C8y C    18.9621  -16.1593
            9   N4y N    18.1927  -15.0401
            10  N2b N    13.2262  -17.5583 #+
            11  O3a O    12.0371  -16.8588 #-
            12  O3a O    13.2262  -18.9573
            13  C1b C    18.6124  -13.7111
            14  C1b C    20.0114  -13.4313
            15  C1b C    20.3611  -16.1593
            16  C8y C    21.0606  -17.3484
            17  C8x C    20.3611  -18.5376
            18  C8x C    21.0606  -19.7967
            19  C8y C    22.4596  -19.7967
            20  C8x C    23.1591  -18.6075
            21  C8x C    22.4596  -17.3484
            22  O2a O    23.1591  -20.9858
            23  C1b C    24.5581  -20.9858
            24  C1a C    25.2576  -22.1750
            25  N1y N    20.4311  -12.1022
            26  C1x C    21.7601  -11.6825
            27  C1x C    21.7601  -10.2136
            28  C1x C    20.4311   -9.7939
            29  C1x C    19.5917  -10.9131
BOND        32
            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 2
            9     8   9 1
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13   10  12 2
            14    9  13 1
            15   13  14 1
            16    8  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   14  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   25  29 1

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