KEGG   COMPOUND: C22704
Entry
C22704                      Compound                               
Name
AB-PINACA;
N-[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-pentyl-1H-indazole-3-carboxamide
Formula
C18H26N4O2
Exact mass
330.2056
Mol weight
330.42
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22704
Other DBs
CAS: 1445752-09-9
PubChem: 497620059
LinkDB
KCF data

ATOM        24
            1   C1c C    20.7513  -12.6824
            2   N1a N    20.5410  -10.2990
            3   C5a C    19.9802  -11.5608
            4   O5a O    18.5782  -11.5608
            5   C1c C    22.1535  -12.6824
            6   C1a C    22.8545  -13.8742
            7   C1a C    22.8545  -11.4207
            8   C8x C    14.4420  -15.8371
            9   C8x C    14.4420  -17.2391
            10  C8x C    15.6337  -17.9402
            11  C8y C    16.8956  -17.2391
            12  C8y C    16.8956  -15.8371
            13  C8x C    15.6337  -15.1361
            14  N4y N    18.2276  -17.6598
            15  N5x N    19.1390  -16.5381
            16  C8y C    18.2276  -15.4165
            17  C1b C    18.7885  -18.9217
            18  N1b N    20.1205  -14.0144
            19  C5a C    18.7885  -14.1546
            20  O5a O    17.9472  -13.0329
            21  C1b C    20.7513  -20.3237
            22  C1b C    20.1905  -19.0618
            23  C1a C    22.6442  -21.7258
            24  C1b C    22.0833  -20.4640
BOND        25
            1     2   3 1
            2     1   3 1
            3     3   4 2
            4     1   5 1
            5     5   6 1
            6     5   7 1
            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   21  22 1
            22   17  22 1
            23   23  24 1
            24   21  24 1
            25    1  18 1 #Down

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