| Entry |
|
|---|
| Name |
Improsulfan tosilate (JAN) |
|---|
| Formula |
C8H19NO6S2. C7H8O3S
|
|---|
| Exact mass |
461.0848
|
|---|
| Mol weight |
461.58
|
|---|
| 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
D01497 Improsulfan tosilate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1a C 22.3622 -16.9572
2 S4a S 23.5688 -16.2587
3 O2a O 24.7756 -16.9501
4 C1b C 25.9822 -16.2516
5 C1b C 27.1889 -16.9432
6 C1b C 28.3955 -16.2447
7 N1b N 29.6022 -16.9361
8 C1b C 30.8089 -16.2376
9 C1b C 32.0155 -16.9290
10 C1b C 33.2222 -16.2304
11 O1d O 24.5567 -15.2637
12 O1d O 22.5739 -15.2637
13 O2a O 34.4329 -16.9276
14 S4a S 35.6422 -16.2276
15 C1a C 36.8530 -16.9247
16 O1d O 36.6235 -15.2285
17 O1d O 34.6406 -15.2285
18 C8x C 39.1300 -15.4000
19 C8x C 39.1300 -16.8000
20 C8y C 40.3424 -17.5000
21 C8x C 41.5549 -16.8000
22 C8x C 41.5549 -15.4000
23 C8y C 40.3424 -14.7000
24 S4a S 40.3424 -13.3002
25 O1d O 40.3424 -11.9002
26 O1d O 38.9200 -13.3002
27 O1d O 41.7200 -13.3002
28 C1a C 40.3424 -18.8998
BOND 27
1 13 14 1
2 6 7 1
3 14 15 1
4 14 16 2
5 7 8 1
6 14 17 2
7 3 4 1
8 8 9 1
9 1 2 1
10 9 10 1
11 4 5 1
12 2 11 2
13 2 12 2
14 5 6 1
15 10 13 1
16 2 3 1
17 18 19 2
18 19 20 1
19 20 21 2
20 21 22 1
21 22 23 2
22 18 23 1
23 23 24 1
24 24 25 1
25 24 26 2
26 24 27 2
27 20 28 1
|
|---|
