KEGG   COMPOUND: C11189
Entry
C11189                      Compound                               
Name
Hoechst 33342;
Hoe 33342
Formula
C27H28N6O
Exact mass
452.2325
Mol weight
452.5508
Structure
Other DBs
CAS: 23491-52-3
PubChem: 13370
ChEBI: 51232
PDB-CCD: HT1[PDBj]
NIKKAJI: J283.606H
KCF data

ATOM        34
            1   C8x C    23.7982  -18.6457
            2   C8x C    23.8216  -15.8403
            3   C8y C    22.5811  -17.9021
            4   C8x C    22.5811  -16.5460
            5   N1y N    21.2569  -18.6457
            6   C1x C    19.8717  -17.9021
            7   C1x C    21.2569  -20.1967
            8   C1x C    18.6326  -18.6457
            9   C1x C    19.9499  -20.9578
            10  N1y N    18.6326  -20.1967
            11  C1a C    17.3809  -21.0067
            12  N4x N    26.3461  -16.1107
            13  C8y C    25.0571  -16.5460
            14  C8y C    25.0740  -17.9112
            15  N5x N    26.3750  -18.3142
            16  C8y C    27.1610  -17.1979
            17  C8y C    28.5191  -17.2474
            18  C8x C    29.2132  -18.4106
            19  C8x C    29.1779  -16.0483
            20  C8x C    30.5432  -16.0280
            21  N4x N    32.5657  -17.4506
            22  C8y C    31.2385  -17.1924
            23  C8y C    30.5816  -18.3840
            24  N5x N    31.5139  -19.3720
            25  C8y C    32.7416  -18.7923
            26  C8y C    33.9278  -19.4392
            27  C8x C    33.9563  -20.7931
            28  C8x C    35.1496  -21.4472
            29  C8y C    36.2369  -20.7426
            30  C8x C    36.2778  -19.3844
            31  C8x C    35.0844  -18.7303
            32  O2a O    37.5003  -21.3896
            33  C1b C    37.5294  -22.7479
            34  C1a C    38.7156  -23.4019
BOND        39
            1    16  12 1
            2     3   5 1
            3    16  17 1
            4     5   6 1
            5     5   7 1
            6    17  18 2
            7    18  23 1
            8    20  19 2
            9    19  17 1
            10   20  22 1
            11    6   8 1
            12   22  23 2
            13    7   9 1
            14    8  10 1
            15   10  11 1
            16    3   4 1
            17    9  10 1
            18   21  22 1
            19   23  24 1
            20   24  25 2
            21   25  21 1
            22   13  14 2
            23   25  26 1
            24   14   1 1
            25   13   2 1
            26    1   3 2
            27    2   4 2
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   31  26 1
            34   12  13 1
            35   29  32 1
            36   14  15 1
            37   32  33 1
            38   15  16 2
            39   33  34 1

» Japanese version

  All links  
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (4)   

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