| Entry |
|
|---|
| Name |
Thonzonium bromide (USAN);
Tonzonium bromide (INN);
Thonzide (TN) |
|---|
| Formula |
C32H55N4O. Br
|
|---|
| Exact mass |
590.3559
|
|---|
| Mol weight |
591.71
|
|---|
| Structure |
|
|---|
| Remark |
| Product (mixture): | D02139<US> |
|
|---|
| Efficacy |
Detergent |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8x C 12.1989 -18.9634
2 C8y C 12.1989 -17.5641
3 C8x C 13.4117 -16.8645
4 C8x C 14.6243 -17.5641
5 C8y C 14.6243 -18.9634
6 C8x C 13.4117 -19.6630
7 C1b C 15.8370 -19.6630
8 N1c N 17.0498 -18.9634
9 C1b C 18.2624 -19.6630
10 C1b C 19.4751 -18.9634
11 N1d N 20.6878 -19.6630 #+
12 C8y C 17.0498 -17.5641
13 N5x N 15.8370 -16.8645
14 C8x C 15.8370 -15.4652
15 C8x C 17.0498 -14.7656
16 C8x C 18.2624 -15.4652
17 N5x N 18.2624 -16.8645
18 O2a O 10.9862 -16.8645
19 C1a C 9.7736 -17.5641
20 C1b C 21.9208 -18.9502
21 C1a C 20.6884 -21.0696
22 C1a C 20.6878 -18.1930
23 C1b C 23.2040 -19.6496
24 C1b C 24.3817 -18.9687
25 C1a C 26.4887 -19.6590
26 X Br 20.5470 -16.5845 #-
27 C1b C 23.2040 -19.6496
28 C1b C 24.3817 -18.9687
29 C1b C 23.2040 -19.6496
30 C1b C 24.3817 -18.9687
31 C1b C 23.2040 -19.6496
32 C1b C 24.3817 -18.9687
33 C1b C 23.2040 -19.6496
34 C1b C 24.3817 -18.9687
35 C1b C 23.2040 -19.6496
36 C1b C 24.3817 -18.9687
37 C1b C 23.2040 -19.6496
38 C1b C 24.3817 -18.9687
BOND 38
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 8 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 12 17 1
19 2 18 1
20 18 19 1
21 11 20 1
22 11 21 1
23 11 22 1
24 20 23 1
25 23 24 1
26 24 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 25 1
BRACKET 1 22.7500 -20.5100 22.7500 -18.3400
1 24.5700 -18.3400 24.5700 -20.5100
1 7
ORIGINAL 1 23 24
REPEAT 1 27 28 29 30 31 32 33 34 35 36 37 38
|
|---|
