KEGG   COMPOUND: C22801
Entry
C22801                      Compound                               
Name
5F-MDMB-PINACA;
Methyl 2-[1-(5-fluoropentyl)-1H-indazole-3-carboxamido]-3,3-dimethylbutanoate
Formula
C20H28FN3O3
Exact mass
377.2115
Mol weight
377.45
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22801
Other DBs
CAS: 1715016-75-3
PubChem: 497620156
LinkDB
KCF data

ATOM        27
            1   C8x C    13.8257  -15.7032
            2   C8x C    13.8257  -17.0929
            3   C8x C    15.0069  -17.7877
            4   C8y C    16.2575  -17.0929
            5   C8y C    16.2575  -15.7032
            6   C8x C    15.0069  -15.0084
            7   N4y N    17.5777  -17.5097
            8   N5x N    18.5504  -16.3981
            9   C8y C    17.5777  -15.2864
            10  C1b C    18.1335  -18.8299
            11  N1b N    19.5231  -13.8967
            12  C5a C    18.1335  -14.0357
            13  O5a O    17.2997  -12.9240
            14  C1b C    20.1485  -20.2195
            15  C1b C    19.5926  -18.9689
            16  C1b C    22.0245  -21.6091
            17  C1b C    21.4686  -20.3585
            18  C1c C    20.1485  -12.5766
            19  O7a O    19.9400  -10.2142
            20  C7a C    19.3842  -11.4649
            21  O6a O    17.9251  -11.4649
            22  C1d C    21.5381  -12.5766
            23  C1a C    22.2329  -13.7578
            24  C1a C    22.2329  -11.3259
            25  C1a C    22.9277  -12.5766
            26  X   F    23.4063  -21.7553
            27  C1a C    19.2400   -9.0018
BOND        28
            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   14  15 1
            16   10  15 1
            17   16  17 1
            18   14  17 1
            19   19  20 1
            20   18  20 1
            21   20  21 2
            22   18  22 1
            23   22  23 1
            24   22  24 1
            25   22  25 1
            26   11  18 1
            27   16  26 1
            28   19  27 1

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