KEGG   COMPOUND: C19256
Entry
C19256                      Compound                               
Name
Merphalan;
Sarcolysin
Formula
C13H18Cl2N2O2
Exact mass
304.0745
Mol weight
305.2002
Structure
Other DBs
CAS: 531-76-0
PubChem: 124489928
ChEBI: 82339
KCF data

ATOM        19
            1   C8x C    16.3800  -18.3400
            2   C8y C    16.3800  -19.7400
            3   C8x C    17.5924  -20.4400
            4   C8x C    18.8049  -19.7400
            5   C8y C    18.8049  -18.3400
            6   C8x C    17.5924  -17.6400
            7   C1b C    20.0424  -17.6400
            8   C1c C    21.2549  -18.3400
            9   C6a C    22.4673  -17.6400
            10  N1c N    15.1676  -20.4400
            11  C1b C    13.9551  -19.7400
            12  C1b C    12.7427  -20.4400
            13  N1a N    21.2549  -19.7398
            14  C1b C    15.1676  -21.8398
            15  C1b C    13.9720  -22.5302
            16  X   Cl   12.7848  -21.8448
            17  X   Cl   11.5282  -19.7388
            18  O6a O    23.6818  -18.3412
            19  O6a O    22.4673  -16.2400
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 1
            9     8   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13    8  13 1
            14   10  14 1
            15   14  15 1
            16   15  16 1
            17   12  17 1
            18    9  18 1
            19    9  19 2

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