KEGG   COMPOUND: C22788
Entry
C22788                      Compound                               
Name
MDMB-4EN-PINACA;
Methyl (2S)-3,3-dimethyl-2-[1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido]butanoate
Formula
C20H27N3O3
Exact mass
357.2052
Mol weight
357.45
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22788
Other DBs
CAS: 2504100-70-1
PubChem: 497620143
LinkDB
KCF data

ATOM        26
            1   C1c C    24.7324  -31.3040
            2   O7a O    24.5222  -28.9214
            3   C7a C    23.9615  -30.1828
            4   O6a O    22.4899  -30.1828
            5   C1d C    26.1339  -31.3040
            6   C1a C    26.8347  -32.4953
            7   C1a C    26.8347  -30.0426
            8   C1a C    27.5355  -31.3040
            9   C8x C    18.4254  -34.3874
            10  C8x C    18.4254  -35.7890
            11  C8x C    19.5466  -36.4898
            12  C8y C    20.8080  -35.7890
            13  C8y C    20.8080  -34.3874
            14  C8x C    19.5466  -33.6866
            15  N4y N    22.1395  -36.2094
            16  N5x N    23.0505  -35.0882
            17  C8y C    22.1395  -33.9670
            18  C1b C    22.7001  -37.5409
            19  N1b N    24.1017  -32.6355
            20  C5a C    22.7001  -32.7756
            21  O5a O    21.8592  -31.6544
            22  C1b C    24.7324  -38.9425
            23  C1b C    24.1718  -37.6811
            24  C2a C    26.6245  -40.3440
            25  C2b C    26.0639  -39.0826
            26  C1a C    23.5322  -27.9314
BOND        27
            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     5   8 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14   12  15 1
            15   16  17 2
            16   13  17 1
            17   15  18 1
            18   19  20 1
            19   17  20 1
            20   20  21 2
            21   15  16 1
            22   22  23 1
            23   18  23 1
            24   24  25 2
            25   22  25 1
            26    1  19 1 #Down
            27    2  26 1

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