KEGG   COMPOUND: C22699
Entry
C22699                      Compound                               
Name
ADB-FUBINACA;
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
Formula
C21H23FN4O2
Exact mass
382.1805
Mol weight
382.43
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22699
Other DBs
CAS: 1445583-51-6
PubChem: 497620054
LinkDB
KCF data

ATOM        28
            1   C8x C    13.6667  -16.3839
            2   C8x C    13.6667  -17.7799
            3   C8x C    14.8532  -18.4779
            4   C8y C    16.1096  -17.7799
            5   C8y C    16.1096  -16.3839
            6   C8x C    14.8532  -15.6860
            7   N4y N    17.4358  -18.1987
            8   N5x N    18.3432  -17.0819
            9   C8y C    17.4358  -15.9651
            10  C1b C    17.9942  -19.4551
            11  N1b N    19.3204  -14.5692
            12  C5a C    17.9942  -14.7087
            13  O5a O    17.1566  -13.5920
            14  C8y C    19.3902  -19.5946
            15  C1c C    19.9485  -13.2429
            16  N1a N    19.7391  -10.8698
            17  C5a C    19.1808  -12.1261
            18  C1d C    21.3446  -13.2429
            19  C1a C    22.0425  -14.4296
            20  C1a C    22.0425  -11.9866
            21  C1a C    22.7405  -13.2429
            22  O5a O    17.7874  -12.1261
            23  C8x C    19.9811  -20.9053
            24  C8x C    21.3675  -21.0444
            25  C8y C    22.1812  -19.9133
            26  C8x C    21.5903  -18.6028
            27  C8x C    20.2039  -18.4636
            28  X   F    23.5676  -20.0525
BOND        30
            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     8   9 2
            9     5   9 1
            10    7  10 1
            11   11  12 1
            12    9  12 1
            13   12  13 2
            14    7   8 1
            15   10  14 1
            16   16  17 1
            17   15  17 1
            18   15  18 1
            19   18  19 1
            20   18  20 1
            21   18  21 1
            22   11  15 1
            23   17  22 2
            24   14  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   14  27 1
            30   25  28 1

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