| Entry |
|
|---|
| Name |
Piposulfan (USAN/INN);
Ancyte (TN) |
|---|
| Formula |
C12H22N2O8S2
|
|---|
| Exact mass |
386.0818
|
|---|
| Mol weight |
386.45
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01677 Alkylating agent
DG01721 Methanesulfonate derivative
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01721 Methanesulfonate derivative
D05487 Piposulfan
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C1x C 17.3600 -16.8700
2 N1y N 17.3600 -15.4700
3 C1x C 18.5500 -14.7700
4 C1x C 19.8100 -15.4700
5 N1y N 19.8100 -16.8700
6 C1x C 18.5500 -17.5700
7 C5a C 16.1700 -14.7700
8 C5a C 21.0000 -17.5700
9 C1b C 22.2600 -16.8700
10 C1b C 14.9100 -15.4700
11 O5a O 16.1700 -13.3700
12 O5a O 21.0000 -18.9700
13 C1b C 23.4500 -17.5700
14 O2a O 24.6400 -16.8700
15 S4a S 25.8300 -16.1700
16 C1a C 27.0900 -15.4700
17 C1b C 13.7200 -14.7700
18 O2a O 12.5300 -15.4700
19 S4a S 11.3400 -16.1700
20 C1a C 10.1500 -16.8700
21 O3c O 12.0400 -17.3600
22 O3c O 10.6400 -14.9800
23 O3c O 26.5300 -17.4300
24 O3c O 25.1300 -14.9800
BOND 24
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 5 8 1
9 8 9 1
10 7 10 1
11 7 11 2
12 8 12 2
13 9 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 10 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 19 21 2
22 19 22 2
23 15 23 2
24 15 24 2
|
|---|
