| Entry |
|
| Name |
Ciraparantag (USAN) |
| Formula |
C22H48N12O2
|
| Exact mass |
512.4023
|
| Mol weight |
512.70
|
| Structure |

|
| Simcomp |
|
| Remark |
|
| Efficacy |
Anticoagulant reversal |
| Comment |
|
| Other DBs |
|
| LinkDB |
|
| KCF data |
ATOM 36
1 C1x C 16.0300 -16.6600
2 N1y N 16.0300 -18.0600
3 C1x C 17.2424 -18.7600
4 C1x C 18.4549 -18.0600
5 N1y N 18.4549 -16.6600
6 C1x C 17.2424 -15.9600
7 C1b C 14.8176 -18.7600
8 C1b C 13.6221 -18.0696
9 C1b C 12.4347 -18.7551
10 N1b N 11.2435 -18.0671
11 C5a C 10.0540 -18.7538
12 C1c C 8.8639 -18.0665
13 C1b C 7.6738 -18.7535
14 C1b C 6.4840 -18.0663
15 C1b C 5.2938 -18.7534
16 N1b N 4.1040 -18.0662
17 C2c C 2.9138 -18.7534
18 N1a N 1.7240 -18.0662
19 N2a N 2.9135 -20.1597
20 O5a O 10.0538 -20.1598
21 N1a N 8.8639 -16.6602
22 C1b C 19.6860 -15.9490
23 C1b C 20.8912 -16.6447
24 C1b C 22.0735 -15.9619
25 N1b N 23.2675 -16.6512
26 C5a C 24.4554 -15.9652
27 C1c C 25.6465 -16.6529
28 O5a O 24.4555 -14.5602
29 C1b C 26.8359 -15.9661
30 C1b C 28.0262 -16.6534
31 C1b C 29.2161 -15.9663
32 N1b N 30.4062 -16.6535
33 C2c C 31.5961 -15.9664
34 N1a N 32.7862 -16.6535
35 N1a N 25.6467 -18.0597
36 N2a N 31.5962 -14.5602
BOND 36
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 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 17 19 2
20 11 20 2
21 12 21 1 #Down
22 5 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 26 28 2
29 27 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 33 34 1
35 27 35 1 #Down
36 33 36 2
|