KEGG   COMPOUND: C14914
Entry
C14914                      Compound                               
Name
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine
Formula
C23H36Cl3N
Exact mass
431.1913
Mol weight
432.8976
Structure
Other DBs
PubChem: 17395912
ChEBI: 79439
NIKKAJI: J2.790.712A
LinkDB
KCF data

ATOM        27
            1   C1y C    22.7075  -16.6328
            2   C1y C    21.5417  -15.9648
            3   C1y C    23.8797  -15.9526
            4   C1x C    22.7591  -18.0295
            5   C1z C    20.3818  -16.6450
            6   C1x C    21.5295  -14.6105
            7   C1z C    23.8856  -14.5984
            8   C1x C    26.2237  -15.9586
            9   C2x C    21.5477  -18.6489
            10  C2y C    20.3818  -17.9809
            11  C1x C    19.2401  -15.9891
            12  C1a C    20.3636  -15.0173
            13  C1x C    22.7015  -13.9304
            14  C1y C    25.0577  -13.9244
            15  C1a C    23.8855  -13.2663
            16  C1x C    26.2237  -14.6105
            17  C1x C    19.2218  -18.6550
            18  C1x C    18.0803  -16.6450
            19  C1y C    18.0803  -17.9809
            20  N1c N    25.0647  -12.5300
            21  X   Cl   16.8452  -18.6859
            22  C1b C    26.2771  -11.8381
            23  C1b C    27.4622  -12.5304
            24  C1b C    23.8523  -11.8219
            25  C1b C    22.6464  -12.5102
            26  X   Cl   28.6615  -11.8460
            27  X   Cl   21.4711  -11.8239
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   14  20 1 #Up
            24   19  21 1 #Up
            25   20  22 1
            26   22  23 1
            27   20  24 1
            28   24  25 1
            29   23  26 1
            30   25  27 1

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