KEGG   COMPOUND: C22703
Entry
C22703                      Compound                               
Name
AB-FUBINACA;
N-[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
Formula
C20H21FN4O2
Exact mass
368.1649
Mol weight
368.4047
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  C22703
Other DBs
CAS: 1185282-01-2
LinkDB
KCF data

ATOM        27
            1   C1c C    20.1151  -13.0561
            2   N1a N    19.9048  -10.6734
            3   C5a C    19.3442  -11.9348
            4   C1c C    21.5166  -13.0561
            5   C1a C    22.2174  -14.1773
            6   C1a C    22.2174  -11.7946
            7   O5a O    17.9426  -11.9348
            8   C8x C    13.7379  -16.1396
            9   C8x C    13.7379  -17.5411
            10  C8x C    14.9993  -18.2419
            11  C8y C    16.2607  -17.5411
            12  C8y C    16.2607  -16.1396
            13  C8x C    14.9993  -15.4388
            14  N4y N    17.5922  -17.9616
            15  N5x N    18.5032  -16.8403
            16  C8y C    17.5922  -15.7191
            17  C1b C    18.1528  -19.2230
            18  N1b N    19.4843  -14.3175
            19  C5a C    18.1528  -14.4577
            20  O5a O    17.3119  -13.4065
            21  C8y C    19.5067  -19.5857
            22  C8x C    19.8646  -20.9225
            23  C8x C    21.2183  -21.2855
            24  C8y C    22.2096  -20.2945
            25  C8x C    21.8516  -18.9578
            26  C8x C    20.4979  -18.5949
            27  X   F    23.5634  -20.6576
BOND        29
            1     2   3 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     4   6 1
            6     3   7 2
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    8  13 1
            13   11  14 1
            14   15  16 2
            15   12  16 1
            16   14  17 1
            17   18  19 1
            18   16  19 1
            19   19  20 2
            20   14  15 1
            21   17  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   21  26 1
            28   24  27 1
            29    1  18 1 #Down

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