KEGG   DRUG: Azapentacene
Entry
D07480                      Drug                                   
Name
Azapentacene;
Quinax (TN)
Formula
C18H12N4O6S2. 2Na
Exact mass
489.9994
Mol weight
490.42
Structure
Efficacy
Anticataract
Other DBs
CAS: 3863-80-7
PubChem: 51091805
LigandBox: D07480
NIKKAJI: J377.322A
LinkDB
KCF data

ATOM        32
            1   C8x C    14.2800  -16.5900
            2   C8y C    14.2800  -17.9900
            3   C8x C    15.4924  -18.6900
            4   C8y C    16.7049  -17.9900
            5   C8y C    16.7049  -16.5900
            6   C8x C    15.4924  -15.8900
            7   N2x N    17.9173  -18.6900
            8   C2y C    19.1297  -17.9900
            9   C1y C    19.1297  -16.5900
            10  N1x N    17.9173  -15.8900
            11  C2x C    20.3422  -18.6900
            12  C2y C    21.5546  -17.9900
            13  C2y C    21.5546  -16.5900
            14  C2x C    20.3422  -15.8900
            15  N1x N    22.7670  -18.6900
            16  C1y C    23.9795  -17.9900
            17  C2y C    23.9795  -16.5900
            18  N2x N    22.7670  -15.8900
            19  C2x C    25.1919  -18.6900
            20  C2x C    26.4044  -17.9900
            21  C2y C    26.4044  -16.5900
            22  C2x C    25.1919  -15.8900
            23  S4a S    27.6060  -15.8962
            24  S4a S    13.0676  -18.6900
            25  O1d O    26.9060  -14.6837
            26  O1d O    28.3060  -17.1086
            27  O1d O    28.8184  -15.1962 #-
            28  O1d O    12.3676  -17.4776
            29  O1d O    13.7676  -19.9024
            30  O1d O    11.8551  -19.3900 #-
            31  Z   Na   31.4300  -17.2900 #+
            32  Z   Na    7.3500  -17.9900 #+
BOND        34
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   13  18 1
            22   16  19 1
            23   19  20 2
            24   20  21 1
            25   21  22 2
            26   17  22 1
            27   21  23 1
            28    2  24 1
            29   23  25 2
            30   23  26 2
            31   23  27 1
            32   24  28 2
            33   24  29 2
            34   24  30 1

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