| Entry |
|
|---|
| Name |
Bendamustine (INN);
Treanda (TN) |
|---|
| Formula |
C16H21Cl2N3O2
|
|---|
| Exact mass |
357.1011
|
|---|
| Mol weight |
358.26
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
|
|---|
| Remark |
| Product (DG00678): | D07085<JP/US> D11661<JP> |
|
|---|
| Efficacy |
Antineoplastic, Alkylating agent |
|---|
| Target |
DNA |
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01A ALKYLATING AGENTS
L01AA Nitrogen mustard analogues
L01AA09 Bendamustine
D07501 Bendamustine (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
DG00678 Bendamustine
D07501 Bendamustine
Drug groups [BR:br08330]
Antineoplastic
DG01677 Alkylating agent
DG01678 Nitrogen mustard analog
DG00678 Bendamustine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8y C 20.8600 -17.5000
2 N1c N 19.7400 -18.2000
3 C1b C 19.6700 -19.5300
4 C1b C 18.4800 -17.5000
5 C1b C 18.4800 -16.0300
6 X Cl 17.2900 -15.3300
7 C1b C 20.9300 -20.2300
8 X Cl 20.9300 -21.6300
9 C8x C 22.0500 -18.2000
10 C8y C 23.2400 -17.4300
11 C8y C 23.2400 -16.0300
12 C8x C 22.0500 -15.3300
13 C8x C 20.8600 -16.1000
14 N5x N 24.6400 -17.9200
15 C8y C 25.4100 -16.7300
16 N4y N 24.5700 -15.6100
17 C1b C 26.8100 -16.7300
18 C1b C 27.5100 -17.9900
19 C1b C 28.9100 -17.9900
20 C6a C 29.6100 -19.1800
21 O6a O 31.0100 -19.1800
22 O6a O 28.9100 -20.3700
23 C1a C 24.9900 -14.2800
BOND 24
1 1 2 1
2 2 3 1
3 2 4 1
4 4 5 1
5 5 6 1
6 3 7 1
7 7 8 1
8 1 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 1 13 1
14 10 14 1
15 14 15 2
16 15 16 1
17 11 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 20 22 2
24 16 23 1
|
|---|
