KEGG   COMPOUND: C15343
Entry
C15343                      Compound                               
Name
HR1917;
4',4''-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride
Formula
C26H23N7O4. 2HCl
Exact mass
569.1345
Mol weight
570.4272
Structure
Other DBs
CAS: 5318-78-5
PubChem: 17396340
ChEBI: 79845
NIKKAJI: J2.793.901E
KCF data

ATOM        39
            1   C8x C    19.7400  -18.6200
            2   C8y C    19.7400  -20.0200
            3   C8x C    20.9524  -20.7200
            4   C8x C    22.1649  -20.0200
            5   C8y C    22.1649  -18.6200
            6   C8y C    20.9524  -17.9200
            7   N2b N    20.9524  -16.5202 #+
            8   O3a O    19.7232  -15.8103
            9   C5a C    23.3960  -17.9090
            10  C5a C    18.5276  -20.7200
            11  N1b N    24.6012  -18.6047
            12  O5a O    23.3957  -16.6601
            13  C8y C    25.7835  -17.9219
            14  C8x C    26.9775  -18.6112
            15  C8x C    28.1899  -17.9112
            16  C8y C    28.1899  -16.5112
            17  C8x C    26.9960  -15.8219
            18  C8x C    25.7835  -16.5219
            19  C2y C    29.4134  -15.8046
            20  N1x N    30.6868  -16.3715
            21  C1x C    31.6194  -15.3356
            22  C1x C    30.9224  -14.1286
            23  N2x N    29.5591  -14.4184
            24  N1b N    17.3321  -20.0296
            25  O5a O    18.5275  -22.1198
            26  C8y C    16.1447  -20.7151
            27  C8x C    14.9535  -20.0271
            28  C8x C    13.7409  -20.7270
            29  C8y C    13.7408  -22.1270
            30  C8x C    14.9320  -22.8149
            31  C8x C    16.1445  -22.1151
            32  C2y C    12.5158  -22.8342
            33  N1x N    11.2436  -22.2676
            34  C1x C    10.3116  -23.3025
            35  C1x C    11.0079  -24.5087
            36  N2x N    12.3702  -24.2192
            37  O3a O    22.1481  -15.8298 #-
            38  X   Cl   23.1000  -22.9600
            39  X   Cl   23.1000  -22.9600
BOND        41
            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     6   7 1
            8     7   8 2
            9     5   9 1
            10    2  10 1
            11    9  11 1
            12    9  12 2
            13   11  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   19  23 2
            26   10  24 1
            27   10  25 2
            28   24  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   29  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   32  36 2
            41    7  37 1
BRACKET     1    21.5600  -23.7300   21.5600  -22.1900
            1    24.0800  -22.1900   24.0800  -23.7300
            1  2
 ORIGINAL  1   38
 REPEAT    1   39

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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