| Entry |
|
|---|
| Name |
Pentamustine (USAN);
Neptamustine (INN);
Salisburystin (TN) |
|---|
| Formula |
C8H16ClN3O2
|
|---|
| Exact mass |
221.0931
|
|---|
| Mol weight |
221.6845
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Comment |
Nitrosourea
|
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01724 Nitrosourea
D05417 Pentamustine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 14
1 N1b N 17.4424 -16.1824
2 C5a C 18.6557 -15.4818
3 N1c N 19.8692 -16.1824
4 C1b C 21.0826 -15.4818
5 O5a O 18.6557 -14.0809
6 N2b N 19.8692 -17.5833
7 C1b C 16.2290 -15.4818
8 C1d C 15.0326 -16.1728
9 C1a C 13.8191 -16.8733
10 C1a C 15.7440 -17.4055
11 C1a C 14.3434 -14.9787
12 C1b C 22.2980 -16.1836
13 X Cl 23.4955 -15.4920
14 O3a O 18.6706 -18.2752
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 2
5 3 6 1
6 1 7 1
7 7 8 1
8 8 9 1
9 8 10 1
10 8 11 1
11 4 12 1
12 12 13 1
13 6 14 2
|
|---|
