KEGG   DRUG: Nizofenone
Entry
D08280                      Drug                                   
Name
Nizofenone (INN)
Formula
C21H21ClN4O3
Exact mass
412.1302
Mol weight
412.8694
Structure
Simcomp
Remark
ATC code: N06BX10
Chemical structure group: DG00980
Efficacy
Nootropic, Vasodilator (cerebral)
Comment
thromboxane A2 (TXA2) 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
      D08280  Nizofenone (INN)
Other DBs
CAS: 54533-85-6
PubChem: 96024967
LigandBox: D08280
NIKKAJI: J11.942C
LinkDB
KCF data

ATOM        29
            1   C1b C    28.7201  -16.5565
            2   N1c N    29.9076  -15.8579
            3   C8y C    27.4628  -15.8579
            4   N4y N    26.4151  -16.6962
            5   C8y C    26.4149  -18.0933
            6   N5x N    27.0436  -14.5307
            7   C8x C    25.6465  -14.5307
            8   C8x C    25.2274  -15.8579
            9   C1b C    29.9076  -14.4608
            10  C1b C    31.0952  -16.5565
            11  C1a C    31.0952  -13.7623
            12  C1a C    32.3525  -15.8579
            13  C8x C    20.3376  -18.7918
            14  C8x C    20.3376  -20.1889
            15  C8x C    21.5950  -20.8874
            16  C8y C    21.5950  -18.0933
            17  C8y C    22.7825  -18.7918
            18  C8x C    22.7825  -20.1889
            19  C5a C    23.9700  -18.0933
            20  C8y C    25.2274  -18.7918
            21  C8x C    25.2274  -20.1889
            22  C8y C    26.4149  -20.8874
            23  C8x C    27.6723  -20.1889
            24  C8x C    27.6025  -18.7918
            25  O5a O    23.9699  -16.6962
            26  N2b N    26.4149  -22.2845 #+
            27  O3a O    25.0876  -23.1230 #-
            28  O3a O    27.6025  -22.9830
            29  X   Cl   21.5950  -16.6962
BOND        31
            1     9  11 1
            2     1   2 1
            3    10  12 1
            4     1   3 1
            5     4   5 1
            6     4   3 1
            7     3   6 2
            8     6   7 1
            9     7   8 2
            10    8   4 1
            11   20  19 1
            12   19  17 1
            13   17  16 2
            14   16  13 1
            15   13  14 2
            16   14  15 1
            17   15  18 2
            18   20  21 2
            19   21  22 1
            20   22  23 2
            21   23  24 1
            22   24   5 2
            23    5  20 1
            24   17  18 1
            25   19  25 2
            26   22  26 1
            27    2   9 1
            28   26  27 1
            29   26  28 2
            30    2  10 1
            31   16  29 1

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