Entry |
|
Name |
Ivospemin hydrochloride (USAN) |
Formula |
C16H42N4O2. 4Cl
|
Exact mass |
462.2062
|
Mol weight |
464.34
|
Structure |

|
Remark |
|
Efficacy |
Antineoplastic |
Comment |
Treatment of pancreatic cancer
|
Other DBs |
|
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
|