KEGG   DRUG: Nizofenone fumarate
Entry
D01465                      Drug                                   
Name
Nizofenone fumarate (JAN);
Ekonal (TN)
Formula
C21H21ClN4O3. C4H4O4
Exact mass
528.1412
Mol weight
528.9416
Structure
Simcomp
Remark
ATC code: N06BX10
Chemical structure group: DG00980
Efficacy
Nootropic, Vasodilator (cerebral)
Comment
Thromboxane A2 biosynthesis inhibitor
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BX Other psychostimulants and nootropics
     N06BX10 Nizofenone
      D01465  Nizofenone fumarate (JAN)
Other DBs
CAS: 54533-86-7
PubChem: 7848528
ChEBI: 31914
LigandBox: D01465
NIKKAJI: J358.807F
LinkDB
KCF data

ATOM        37
            1   C6a C    28.8447  -18.6855
            2   C2b C    30.0564  -19.3880
            3   O6a O    27.6330  -19.3880
            4   O6a O    28.8447  -17.2866
            5   C2b C    31.2739  -18.6855
            6   C6a C    32.4856  -19.3880
            7   O6a O    33.6973  -18.6855
            8   O6a O    32.4856  -20.7869
            9   C1b C    24.8579  -15.2295
            10  N1c N    26.0706  -14.5292
            11  C8y C    23.6450  -14.5292
            12  N4y N    22.5078  -15.3466
            13  C8y C    22.5709  -16.7471
            14  N5x N    23.2189  -13.1949
            15  C8x C    21.8184  -13.1880
            16  C8x C    21.3789  -14.5177
            17  C1b C    26.0706  -13.1287
            18  C1b C    27.2836  -15.2295
            19  C1a C    27.2836  -12.4285
            20  C1a C    28.4965  -14.5292
            21  C8x C    16.5046  -17.4241
            22  C8x C    16.5046  -18.8246
            23  C8x C    17.7204  -19.5248
            24  C8y C    17.7204  -16.7238
            25  C8y C    18.9291  -17.4241
            26  C8x C    18.9231  -18.8246
            27  C5a C    20.1450  -16.7291
            28  C8y C    21.3549  -17.4344
            29  C8x C    21.3422  -18.8313
            30  C8y C    22.5456  -19.5406
            31  C8x C    23.8315  -18.8532
            32  C8x C    23.7743  -17.4563
            33  O5a O    20.1510  -15.3286
            34  N2b N    22.5328  -20.9411 #+
            35  O3a O    21.3143  -21.6327 #-
            36  O3a O    23.7400  -21.6512
            37  X   Cl   17.7070  -15.3164
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    17  19 1
            9     9  10 1
            10   18  20 1
            11    9  11 1
            12   12  13 1
            13   12  11 1
            14   11  14 2
            15   14  15 1
            16   15  16 2
            17   16  12 1
            18   28  27 1
            19   27  25 1
            20   25  24 2
            21   24  21 1
            22   21  22 2
            23   22  23 1
            24   23  26 2
            25   28  29 2
            26   29  30 1
            27   30  31 2
            28   31  32 1
            29   32  13 2
            30   13  28 1
            31   25  26 1
            32   27  33 2
            33   30  34 1
            34   10  17 1
            35   34  35 1
            36   34  36 2
            37   10  18 1
            38   24  37 1

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