KEGG   DRUG: Etoprine
Entry
D04108                      Drug                                   
Name
Etoprine (USAN)
Formula
C12H12Cl2N4
Exact mass
282.0439
Mol weight
283.15
Structure
Simcomp
Efficacy
Antineoplastic
Other DBs
CAS: 18588-57-3
PubChem: 47206059
LigandBox: D04108
NIKKAJI: J9.999F
LinkDB
KCF data

ATOM        18
            1   C8y C     6.5100  -18.6900
            2   C8y C     6.5100  -20.0900
            3   C8x C     7.7224  -20.7900
            4   C8x C     8.9349  -20.0900
            5   C8y C     8.9349  -18.6900
            6   C8x C     7.7224  -17.9900
            7   C8y C    10.1660  -17.9790
            8   C8y C    11.3712  -18.6747
            9   N5x N    12.5835  -17.9746
            10  C8y C    12.5835  -16.5746
            11  N5x N    11.3783  -15.8789
            12  C8y C    10.1659  -16.5790
            13  X   Cl    5.2976  -17.9900
            14  X   Cl    5.2976  -20.7900
            15  C1b C    11.3716  -20.0896
            16  C1a C    12.5605  -20.7759
            17  N1a N     8.9464  -15.8749
            18  N1a N    13.8014  -15.8712
BOND        19
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    1  13 1
            15    2  14 1
            16    8  15 1
            17   15  16 1
            18   12  17 1
            19   10  18 1

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