Entry |
|
Name |
Muparfostat sodium (USAN) |
Formula |
C12H14O35PS7. (C6H7O14S3. 3Na)n. 9Na
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antineoplastic |
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 90
1 C1y C 14.1400 -9.8700
2 C1y C 12.7400 -9.8700
3 C1y C 12.0400 -11.0600
4 C1y C 12.7400 -12.3200
5 C1y C 14.1400 -12.3200
6 O2x O 14.8400 -11.1300
7 C1b C 14.8400 -8.6800
8 O2a O 10.6400 -11.0600
9 O2a O 12.0400 -13.5800
10 O2a O 12.0400 -8.6800
11 O2a O 14.8400 -13.5100
12 S4a S 12.0400 -7.2800
13 O1d O 12.0400 -5.8800 #-
14 O1d O 13.4400 -7.2800
15 O1d O 10.6400 -7.2800
16 S4a S 9.2400 -11.0600
17 O1d O 7.8400 -11.0600 #-
18 O1d O 9.2400 -9.6600
19 O1d O 9.2400 -12.4600
20 S4a S 12.0400 -14.9800
21 O1d O 12.0400 -16.3800 #-
22 O1d O 13.4400 -14.9800
23 O1d O 10.6400 -14.9800
24 O2b O 16.1000 -7.9800
25 P1b P 16.1000 -6.5800
26 O1c O 16.1000 -5.1800 #-
27 O1c O 14.7000 -6.5800
28 O1c O 17.5000 -6.5800 #-
29 C1y C 20.7200 -13.5800
30 C1y C 21.4200 -14.7700
31 C1y C 22.8200 -14.7700
32 O2x O 23.5200 -13.5800
33 C1y C 22.8200 -12.3900
34 C1y C 21.4200 -12.3900
35 C1b C 23.5200 -11.1300
36 O2a O 20.7200 -16.0300
37 O2a O 20.7200 -11.1300
38 O2a O 23.5200 -16.0300
39 S4a S 19.3200 -11.1300
40 O1d O 17.9200 -11.1300 #-
41 O1d O 19.3200 -9.7300
42 O1d O 19.3200 -12.5300
43 O2a O 22.8200 -9.9400
44 S4a S 22.8200 -8.5400
45 O1d O 22.8200 -7.1400 #-
46 O1d O 24.2200 -8.5400
47 O1d O 21.4200 -8.5400
48 S4a S 20.7200 -17.4300
49 O1d O 20.7200 -18.8300 #-
50 O1d O 22.1200 -17.4300
51 O1d O 19.3200 -17.4300
52 C1y C 27.9300 -19.7400
53 C1y C 27.2300 -20.9300
54 C1y C 27.9300 -22.1900
55 C1y C 29.3300 -22.1900
56 O2x O 30.0300 -20.9300
57 C1y C 29.3300 -19.7400
58 O2a O 27.2300 -23.3800
59 O2a O 25.8300 -20.9300
60 C1b C 30.0300 -23.3800
61 O2a O 30.0300 -18.4800
62 S4a S 24.4300 -20.9300
63 O1d O 23.0300 -20.9300 #-
64 O1d O 24.4300 -19.5300
65 O1d O 24.4300 -22.3300
66 S4a S 25.8300 -23.3800
67 O1d O 24.4300 -23.3800 #-
68 O1d O 25.8300 -24.7800
69 O1d O 25.8300 -21.9800
70 O2a O 29.3300 -24.5700
71 S4a S 29.3300 -25.9700
72 O1d O 29.3300 -27.3700 #-
73 O1d O 27.9300 -25.9700
74 O1d O 30.7300 -25.9700
75 S4a S 30.0300 -17.0800
76 O1d O 30.0300 -15.6800 #-
77 O1d O 31.4300 -17.0800
78 O1d O 28.6300 -17.0800
79 Z Na 15.7500 -3.7800 #+
80 Z Na 17.5000 -5.5300 #+
81 Z Na 5.8100 -11.0600 #+
82 Z Na 11.9700 -17.4300 #+
83 Z Na 11.8300 -4.6900 #+
84 Z Na 17.5000 -12.2500 #+
85 Z Na 23.8000 -7.3500 #+
86 Z Na 19.0400 -18.7600 #+
87 Z Na 22.7500 -23.3100 #+
88 Z Na 29.2600 -28.5600 #+
89 Z Na 29.6100 -14.3500 #+
90 Z Na 21.2800 -20.9300 #+
BOND 80
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 3 8 1 #Up
9 4 9 1 #Up
10 2 10 1 #Down
11 5 11 1 #Down
12 10 12 1
13 12 13 1
14 12 14 2
15 12 15 2
16 8 16 1
17 16 17 1
18 16 18 2
19 16 19 2
20 9 20 1
21 20 21 1
22 20 22 2
23 20 23 2
24 7 24 1
25 24 25 1
26 25 26 1
27 25 27 2
28 25 28 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 29 34 1
35 33 35 1 #Up
36 30 36 1 #Up
37 34 37 1 #Down
38 31 38 1 #Down
39 37 39 1
40 39 40 1
41 39 41 2
42 39 42 2
43 35 43 1
44 43 44 1
45 44 45 1
46 44 46 2
47 44 47 2
48 36 48 1
49 48 49 1
50 48 50 2
51 48 51 2
52 29 11 1 #Up
53 52 53 1
54 53 54 1
55 54 55 1
56 55 56 1
57 56 57 1
58 52 57 1
59 54 58 1 #Up
60 53 59 1 #Down
61 55 60 1 #Down
62 57 61 1 #Either
63 59 62 1
64 62 63 1
65 62 64 2
66 62 65 2
67 58 66 1
68 66 67 1
69 66 68 2
70 66 69 2
71 60 70 1
72 70 71 1
73 71 72 1
74 71 73 2
75 71 74 2
76 61 75 1
77 75 76 1
78 75 77 2
79 75 78 2
80 38 52 1 #Down
BRACKET 1 17.1500 -19.3200 17.1500 -7.0700
1 25.3400 -7.0000 25.3400 -19.2500
1 n
ORIGINAL 1 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44
1 45 46 47 48 49 50 51 84 85 86
REPEAT 1
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