KEGG   DRUG: Nitroblue tetrazolium chloride
Entry
D02003                      Drug                                   
Name
Nitroblue tetrazolium chloride (JAN);
NBT
Formula
C40H30N10O6. 2Cl
Exact mass
816.1727
Mol weight
817.6356
Structure
Simcomp
Remark
Same as: C13503
Efficacy
Diagnostic aid
Other DBs
CAS: 298-83-9 38184-50-8
PubChem: 7849065
ChEBI: 9505
LigandBox: D02003
NIKKAJI: J244.090C
KCF data

ATOM        58
            1   C8x C    20.9916  -21.3410
            2   C8x C    20.9916  -19.9417
            3   C8y C    22.2044  -19.2420
            4   C8x C    23.4172  -19.9417
            5   C8x C    23.4172  -21.3410
            6   C8x C    22.2044  -22.0407
            7   C8y C    22.2044  -17.8427
            8   N5x N    21.0849  -17.0031
            9   N5y N    21.5047  -15.6970 #+
            10  N4y N    22.9040  -15.6970
            11  N5x N    23.3238  -17.0031
            12  C8x C    17.8198  -14.9973
            13  C8y C    17.8198  -13.5980
            14  C8x C    19.0326  -12.8518
            15  C8x C    20.2453  -13.5980
            16  C8y C    20.2453  -14.9973
            17  C8y C    19.0326  -15.6970
            18  C8y C    24.1169  -14.9973
            19  C8x C    24.1169  -13.5980
            20  C8x C    25.3296  -12.8983
            21  C8y C    26.5423  -13.5980
            22  C8x C    26.5423  -14.9973
            23  C8x C    25.3296  -15.6970
            24  C8y C    16.6070  -12.8983
            25  C8x C    15.3943  -13.6447
            26  C8y C    14.1816  -12.9450
            27  C8y C    14.1816  -11.5457
            28  C8x C    15.3476  -10.8460
            29  C8x C    16.6070  -11.4990
            30  N5y N    12.9687  -10.8460 #+
            31  N4y N    11.5694  -10.8460
            32  N5x N    11.1496   -9.4934
            33  C8y C    12.2691   -8.7003
            34  N5x N    13.3885   -9.4934
            35  C8y C     7.9311  -12.9450
            36  C8x C     7.9311  -11.5457
            37  C8x C     9.1440  -10.8460
            38  C8y C    10.3567  -11.5457
            39  C8x C    10.3567  -12.9450
            40  C8x C     9.1440  -13.6447
            41  C8y C    12.2691   -7.3010
            42  C8x C    11.0563   -6.6013
            43  C8x C    11.0563   -5.2020
            44  C8x C    12.2691   -4.5023
            45  C8x C    13.4819   -5.2020
            46  C8x C    13.4819   -6.6013
            47  O2a O    12.9687  -13.6447
            48  C1a C    12.9687  -15.0440
            49  O2a O    19.0326  -17.0964
            50  C1a C    17.8198  -17.7960
            51  N2b N    27.7551  -12.8983 #+
            52  O3a O    27.7551  -11.4990
            53  O3a O    28.9678  -13.5980 #-
            54  N2b N     6.7184  -13.6447 #+
            55  O3a O     6.7184  -15.0440
            56  O3a O     5.5057  -12.9450 #-
            57  X   Cl   15.3476   -9.4467 #-
            58  X   Cl   21.3648  -13.9712 #-
BOND        63
            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     3   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    7  11 2
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   16   9 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   18  10 1
            27   13  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   27  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 2
            38   33  34 1
            39   30  34 2
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   35  40 1
            46   38  31 1
            47   33  41 1
            48   41  42 2
            49   42  43 1
            50   43  44 2
            51   44  45 1
            52   45  46 2
            53   41  46 1
            54   26  47 1
            55   47  48 1
            56   17  49 1
            57   49  50 1
            58   21  51 1
            59   51  52 2
            60   51  53 1
            61   35  54 1
            62   54  55 2
            63   54  56 1

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