| | DRUG: Perisoxal citrate | |
Entry |
|
Name |
Perisoxal citrate (JAN) |
Formula |
(C16H20N2O2)2. C6H8O7
|
Exact mass |
736.332
|
Mol weight |
736.8079
|
Structure |
|
Efficacy |
Analgesic, Anti-inflammatory |
Other DBs |
|
KCF data |
ATOM 53
1 C8y C 27.6463 -14.8106
2 C1c C 28.8566 -14.1099
3 C1b C 30.0668 -14.8036
4 N1y N 31.2771 -14.1030
5 C8x C 21.7393 -12.7099
6 C8x C 21.7393 -14.1113
7 C8x C 22.9558 -14.8120
8 C8y C 24.1652 -14.1113
9 C8x C 24.1652 -12.7099
10 C8x C 22.9558 -12.0093
11 C8y C 25.3792 -14.8111
12 N5x N 27.2101 -16.1426
13 C8x C 26.5095 -13.9839
14 O2x O 25.8088 -16.1426
15 C1x C 32.4811 -14.8018
16 C1x C 33.6913 -14.1011
17 C1x C 33.6896 -12.7026
18 C1x C 32.4777 -12.0049
19 C1x C 31.2674 -12.7055
20 O1a O 28.8535 -12.7086
21 C1d C 39.8975 -13.6340
22 C1b C 38.6850 -14.3309
23 C1b C 41.1099 -14.3249
24 C6a C 40.5886 -12.4155
25 O1a O 39.1886 -12.4155
26 C6a C 37.4783 -13.6397
27 C6a C 41.0982 -15.7249
28 O6a O 39.8798 -11.1973
29 O6a O 41.9944 -12.4155
30 O6a O 36.2660 -14.3426
31 O6a O 37.4666 -12.2399
32 O6a O 42.3107 -16.4278
33 O6a O 39.8798 -16.4219
34 C8y C 27.6463 -14.8106
35 N5x N 27.2101 -16.1426
36 O2x O 25.8088 -16.1426
37 C8y C 25.3792 -14.8111
38 C8y C 24.1652 -14.1113
39 C8x C 22.9558 -14.8120
40 C8x C 21.7393 -14.1113
41 C8x C 21.7393 -12.7099
42 C8x C 22.9558 -12.0093
43 C8x C 24.1652 -12.7099
44 C8x C 26.5095 -13.9839
45 C1c C 28.8566 -14.1099
46 O1a O 28.8535 -12.7086
47 C1b C 30.0668 -14.8036
48 N1y N 31.2771 -14.1030
49 C1x C 32.4811 -14.8018
50 C1x C 33.6913 -14.1011
51 C1x C 33.6896 -12.7026
52 C1x C 32.4777 -12.0049
53 C1x C 31.2674 -12.7055
BOND 56
1 21 22 1
2 21 23 1
3 21 24 1
4 21 25 1
5 22 26 1
6 23 27 1
7 24 28 1
8 24 29 2
9 26 30 1
10 26 31 2
11 27 32 1
12 27 33 2
13 5 6 2
14 6 7 1
15 7 8 2
16 8 9 1
17 9 10 2
18 10 5 1
19 8 11 1
20 12 1 2
21 1 13 1
22 13 11 2
23 11 14 1
24 14 12 1
25 4 15 1
26 15 16 1
27 16 17 1
28 17 18 1
29 18 19 1
30 19 4 1
31 2 20 1
32 1 2 1
33 2 3 1
34 3 4 1
35 41 40 2
36 40 39 1
37 39 38 2
38 38 43 1
39 43 42 2
40 42 41 1
41 38 37 1
42 35 34 2
43 34 44 1
44 44 37 2
45 37 36 1
46 36 35 1
47 48 49 1
48 49 50 1
49 50 51 1
50 51 52 1
51 52 53 1
52 53 48 1
53 45 46 1
54 34 45 1
55 45 47 1
56 47 48 1
BRACKET 1 21.7000 -16.7300 21.7000 -11.3400
1 34.1600 -11.3400 34.1600 -16.7300
1 2
ORIGINAL 1 1 12 14 11 8 7 6 5 10 9 13 2 20 3 4 15
1 16 17 18 19
REPEAT 1 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49
1 50 51 52 53
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