| Entry |
|
|---|
| Name |
Fosbretabulin tromethamine (USAN) |
|---|
| Formula |
C18H21O8P. C4H11NO3
|
|---|
| Exact mass |
517.1713
|
|---|
| Mol weight |
517.4633
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Comment |
tubulin depolymerizing agent
Combretastatin A-4 [CPD: C20268] derivative
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 15.3129 -23.5687
2 C8y C 15.3129 -24.9675
3 C8y C 16.5018 -25.6668
4 C8x C 17.7607 -24.9675
5 C8y C 17.7607 -23.5687
6 C8x C 16.5018 -22.8694
7 C2b C 18.9496 -22.8694
8 C2b C 20.3484 -22.8694
9 C8y C 21.5373 -23.5687
10 C8x C 21.5373 -24.9675
11 C8y C 22.7262 -25.6668
12 C8y C 23.9851 -24.9675
13 C8x C 23.9851 -23.5687
14 C8x C 22.7262 -22.8694
15 O2a O 14.1240 -25.6668
16 C1a C 12.9351 -24.9675
17 O2a O 16.5018 -27.0656
18 C1a C 15.3129 -27.6950
19 O2a O 14.1240 -22.8694
20 C1a C 12.9351 -23.5687
21 O2a O 25.1040 -25.6668
22 C1a C 26.3629 -25.0374
23 O2b O 22.7262 -27.0656
24 P1b P 21.5373 -27.6950
25 O1c O 20.0686 -28.6042
26 O1c O 20.8379 -26.5061
27 O1c O 22.1667 -28.9539
28 C1b C 30.8388 -24.8975
29 C1d C 32.0501 -25.5969
30 O1a O 29.6275 -25.5969
31 C1b C 33.2446 -24.9071
32 O1a O 34.4309 -25.5920
33 N1a N 32.0501 -24.1982
34 C1b C 32.0501 -26.9956
35 O1a O 33.2447 -27.6853
BOND 35
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 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 2 15 1
17 15 16 1
18 3 17 1
19 17 18 1
20 1 19 1
21 19 20 1
22 12 21 1
23 21 22 1
24 11 23 1
25 23 24 1
26 24 25 1
27 24 26 2
28 24 27 1
29 28 29 1
30 28 30 1
31 29 31 1
32 31 32 1
33 29 33 1
34 29 34 1
35 34 35 1
|
|---|
