| Entry |
|
|---|
| Name |
Semustine (USAN/INN) |
|---|
| Formula |
C10H18ClN3O2
|
|---|
| Exact mass |
247.1088
|
|---|
| Mol weight |
247.72
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Comment |
Nitrosourea
|
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Structure map |
| map07040 | Antineoplastics - alkylating agents |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01A ALKYLATING AGENTS
L01AD Nitrosoureas
L01AD03 Semustine
D05822 Semustine (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01724 Nitrosourea
D05822 Semustine
|
|---|
| Other DBs |
|
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| LinkDB |
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|---|
| KCF data |
ATOM 16
1 C1y C 36.8900 -18.8300
2 N1b N 38.0800 -19.4600
3 C1x C 35.6300 -19.5300
4 C1x C 36.8900 -17.4300
5 C5a C 39.2700 -18.8300
6 C1x C 34.4400 -18.8300
7 C1x C 35.6300 -16.6600
8 N1c N 40.4600 -19.5300
9 O5a O 39.2700 -17.4300
10 C1y C 34.4400 -17.4300
11 C1b C 41.7200 -18.8300
12 N2b N 40.4600 -20.9300
13 C1a C 33.1800 -16.7300
14 C1b C 42.9100 -19.5300
15 O3a O 39.2700 -21.5600
16 X Cl 44.1000 -18.8300
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 8 11 1
11 8 12 1
12 10 13 1
13 11 14 1
14 12 15 2
15 14 16 1
16 7 10 1
|
|---|
