| Entry |
|
|---|
| Name |
Difethiarol (JAN);
Difethialone |
|---|
| Formula |
C31H23BrO2S
|
|---|
| Exact mass |
538.0602
|
|---|
| Mol weight |
539.4821
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01759 Dicumarol type coumarin derivative
|
|---|
| Remark |
|
|---|
| Efficacy |
Anticoagulant, Rodenticide |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01759 Dicumarol type coumarin derivative
D09807 Difethiarol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 C1y C 18.6200 -15.8200
2 C1x C 18.6200 -14.4200
3 C8y C 17.4300 -13.7200
4 C8y C 16.1700 -14.4200
5 C1y C 16.1700 -15.8200
6 C1x C 17.4300 -16.5200
7 C8x C 17.4300 -12.3200
8 C8x C 16.1700 -11.6200
9 C8x C 14.9800 -12.3200
10 C8x C 14.9800 -13.7200
11 C8y C 14.9800 -16.5200
12 C8y C 13.7900 -15.8200
13 C8y C 12.5300 -16.5200
14 C8y C 12.5300 -17.9200
15 S2x S 13.7200 -18.6200
16 C8y C 14.9800 -17.9200
17 C8x C 11.3400 -15.8200
18 C8x C 10.1500 -16.5200
19 C8x C 10.1500 -17.9200
20 C8x C 11.3400 -18.6200
21 O5x O 16.1700 -18.6200
22 O1a O 13.7900 -14.4200
23 C8y C 19.8100 -16.5200
24 C8x C 19.8100 -17.9200
25 C8x C 21.0700 -18.6200
26 C8y C 22.2600 -17.9200
27 C8x C 22.2600 -16.5200
28 C8x C 21.0700 -15.8200
29 C8y C 23.4500 -18.6200
30 C8x C 23.4500 -20.0200
31 C8x C 24.7100 -20.7200
32 C8y C 25.9000 -20.0200
33 C8x C 25.9000 -18.6200
34 C8x C 24.7100 -17.9200
35 X Br 27.0900 -20.7200
BOND 40
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 3 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 4 10 2
12 5 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 1
18 11 16 1
19 13 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 14 20 1
24 16 21 2
25 12 22 1
26 1 23 1
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 23 28 2
33 26 29 1
34 29 30 1
35 30 31 2
36 31 32 1
37 32 33 2
38 33 34 1
39 29 34 2
40 32 35 1
|
|---|
