KEGG   DRUG: Ivospemin
Entry
D12414                      Drug                                   
Name
Ivospemin (USAN/INN)
Formula
C16H38N4O2
Exact mass
318.2995
Mol weight
318.50
Structure
Remark
Chemical structure group: DG03237
Efficacy
Antineoplastic
Comment
Spermine analogue [CPD:C00750]
Treatment of pancreatic cancer
Other DBs
CAS: 748119-79-1
PubChem: 497620827
LinkDB
KCF data

ATOM        22
            1   C1a C     4.9700  -15.4700
            2   C1b C     6.1824  -14.7700
            3   N1b N     7.3949  -15.4700
            4   C1b C     8.6073  -14.7700
            5   C1b C     9.8197  -15.4700
            6   C1c C    11.0322  -14.7700
            7   C1b C    12.2446  -15.4700
            8   N1b N    13.4570  -14.7700
            9   C1b C    14.6695  -15.4700
            10  C1b C    15.8819  -14.7700
            11  C1b C    17.0944  -15.4700
            12  C1b C    18.3068  -14.7700
            13  N1b N    19.5192  -15.4700
            14  C1b C    20.7317  -14.7700
            15  C1c C    21.9441  -15.4700
            16  C1b C    23.1565  -14.7700
            17  C1b C    24.3690  -15.4700
            18  N1b N    25.5814  -14.7700
            19  C1b C    26.7938  -15.4700
            20  C1a C    28.0063  -14.7700
            21  O1a O    11.0322  -13.3703
            22  O1a O    21.9441  -16.8696
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    6  21 1 #Down
            21   15  22 1 #Down

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