KEGG   DRUG: TirilazadHelp
Entry
D08606                      Drug                                   

Name
Tirilazad (INN)
Formula
C38H52N6O2
Exact mass
624.4152
Mol weight
624.8585
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: N07XX01
Chemical structure group: DG01007
Efficacy
Cerebroprotective, Lipid peroxidation inhibitor
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX01 Tirilazad
      D08606  Tirilazad (INN)
BRITE hierarchy
Other DBs
CAS: 110101-66-1
PubChem: 96025290
ChEMBL: CHEMBL1630578 CHEMBL1908849
LigandBox: D08606
LinkDB All DBs
KCF data Show

ATOM        46
            1   C1x C    21.1569  -21.9250
            2   C1y C    21.1569  -20.5241
            3   C1y C    19.9662  -19.8237
            4   C8y C    19.9662  -10.2276
            5   N5x N    19.9662  -11.5584
            6   C8y C    21.1569  -12.2589
            7   C8x C    22.3477  -11.5584
            8   C8y C    22.3477  -10.2276
            9   N5x N    21.1569   -9.5271
            10  N1y N    18.7754   -9.5271
            11  N1y N    23.5384   -9.5271
            12  C1x C    18.7754   -8.0562
            13  C1x C    17.3045   -7.8461
            14  C1x C    16.6040   -9.0368
            15  C1x C    17.5146  -10.0875
            16  N1y N    21.1569  -13.6598
            17  C1x C    19.9662  -14.3602
            18  C1x C    19.9662  -15.6911
            19  N1y N    21.1569  -16.3915
            20  C1x C    22.3477  -15.6911
            21  C1x C    22.3477  -14.2902
            22  C1b C    21.1569  -17.7924
            23  C5a C    19.9662  -18.4928
            24  O5a O    18.7754  -17.7924
            25  C1a C    22.3477  -19.8237
            26  C1y C    18.7754  -21.9250
            27  C1z C    18.7754  -20.5241
            28  C1x C    17.5847  -19.8237
            29  C2x C    16.3939  -20.5241
            30  C1y C    17.5847  -22.5554
            31  C2y C    16.3939  -21.9250
            32  C1x C    16.3939  -24.6567
            33  C1x C    17.5847  -23.9563
            34  C2y C    15.2031  -23.9563
            35  C1z C    15.2031  -22.6255
            36  C2x C    14.0124  -21.9250
            37  C2x C    12.8216  -22.5554
            38  C5x C    12.8216  -23.9563
            39  C2x C    14.0124  -24.6567
            40  O5x O    11.6309  -24.6567
            41  C1a C    15.2031  -21.2246
            42  C1a C    18.7754  -19.1232
            43  C1x C    24.8693   -9.9474
            44  C1x C    25.7098   -8.8967
            45  C1x C    24.9393   -7.7060
            46  C1x C    23.5385   -8.1263
BOND        53
            1     2   3 1
            2     3  27 1
            3    26   1 1
            4     2  25 1 #Down
            5    10  12 1
            6    12  13 1
            7    13  14 1
            8    14  15 1
            9    26  27 1
            10   27  28 1
            11   28  29 1
            12   29  31 2
            13   30  26 1
            14   15  10 1
            15    4   5 2
            16    5   6 1
            17    6   7 2
            18    7   8 1
            19   30  31 1
            20   31  35 1
            21   34  32 1
            22   32  33 1
            23   33  30 1
            24    8   9 2
            25    9   4 1
            26   16  17 1
            27   17  18 1
            28   18  19 1
            29   19  20 1
            30   34  35 1
            31   35  36 1
            32   36  37 2
            33   37  38 1
            34   38  39 1
            35   39  34 2
            36   20  21 1
            37   38  40 2
            38   21  16 1
            39   35  41 1 #Up
            40    6  16 1
            41   27  42 1 #Up
            42   19  22 1
            43    4  10 1
            44   22  23 1
            45    3  23 1 #Up
            46   23  24 2
            47    8  11 1
            48    1   2 1
            49   11  43 1
            50   43  44 1
            51   44  45 1
            52   45  46 1
            53   11  46 1

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