KEGG   DRUG: Ivospemin hydrochloride
Entry
D12415                      Drug                                   
Name
Ivospemin hydrochloride (USAN)
Formula
C16H42N4O2. 4Cl
Exact mass
462.2062
Mol weight
464.34
Structure
Remark
Chemical structure group: DG03237
Efficacy
Antineoplastic
Comment
Treatment of pancreatic cancer
Other DBs
CAS: 259657-09-5
PubChem: 497620828
LinkDB
KCF data

ATOM        26
            1   C1a C     7.1409  -16.3120
            2   C1b C     8.3310  -15.6119
            3   N1b N     9.5912  -16.3120 #+
            4   C1b C    10.7813  -15.6119
            5   C1b C    11.9715  -16.3120
            6   C1c C    13.2316  -15.6119
            7   C1b C    14.4218  -16.3120
            8   N1b N    15.6119  -15.6119 #+
            9   C1b C    16.8721  -16.3120
            10  C1b C    18.0623  -15.6119
            11  C1b C    19.2524  -16.3120
            12  C1b C    20.5126  -15.6119
            13  N1b N    21.7027  -16.3120 #+
            14  C1b C    22.8929  -15.6119
            15  C1c C    24.0830  -16.3120
            16  C1b C    25.3432  -15.6119
            17  C1b C    26.5333  -16.3120
            18  N1b N    27.7235  -15.6119 #+
            19  C1b C    28.9836  -16.3120
            20  C1a C    30.1738  -15.6119
            21  O1a O    13.2316  -14.2118
            22  O1a O    24.0830  -17.7122
            23  X   Cl   27.6500  -17.9200 #-
            24  X   Cl   21.6300  -14.0700 #-
            25  X   Cl   15.5400  -17.9200 #-
            26  X   Cl    9.4500  -14.0700 #-
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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