Entry |
|
Name |
Evofosfamide (JAN/USAN/INN) |
Formula |
C9H16Br2N5O4P
|
Exact mass |
446.9307
|
Mol weight |
449.0362
|
Structure |
|
Efficacy |
Antineoplastic, Alkylating agent |
Comment |
Active form of prodrug: Bromo-isophosphoramide mustard [CPD: C21578]
|
Brite |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 21
1 O2b O 19.2500 -18.5500
2 C1b C 19.2500 -19.9500
3 C8y C 20.4400 -20.6500
4 N4y N 20.5800 -22.0500
5 C8y C 21.9800 -22.3300
6 N5x N 22.6800 -21.1400
7 C8x C 21.7700 -20.0900
8 C1a C 19.3900 -22.7500
9 N2b N 22.6800 -23.5200 #+
10 O3a O 24.0800 -23.5200 #-
11 O3a O 21.9800 -24.7800
12 P1a P 20.4400 -17.5000
13 N1b N 20.4400 -16.0300
14 N1b N 21.7000 -18.3400
15 O3b O 19.1800 -16.7300
16 C1b C 23.1000 -17.5000
17 C1b C 24.2200 -18.1300
18 X Br 25.2700 -17.4300
19 C1b C 19.2500 -15.3300
20 C1b C 18.0600 -16.0300
21 X Br 16.8000 -15.3300
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 3 7 2
8 4 8 1
9 5 9 1
10 9 10 1
11 9 11 2
12 12 13 1
13 12 14 1
14 12 1 1
15 12 15 2
16 14 16 1
17 16 17 1
18 17 18 1
19 13 19 1
20 19 20 1
21 20 21 1
|