| Entry |
|
|---|
| Name |
Losoxantrone hydrochloride (USAN) |
|---|
| Formula |
(C22H27N5O4)2. 4HCl. H2O
|
|---|
| Exact mass |
1012.3299
|
|---|
| Mol weight |
1014.8208
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01727 Anthraquinone antineoplastic
|
|---|
| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Comment |
anthraquinone derivative - anthrapyrazole
|
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01727 Anthraquinone antineoplastic
D04783 Losoxantrone hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D04783 Losoxantrone hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 67
1 C8x C 9.0300 -13.0200
2 C8x C 9.0300 -14.4200
3 C8y C 10.2424 -15.1200
4 C8y C 11.4549 -14.4200
5 C8y C 11.4549 -13.0200
6 C8x C 10.2424 -12.3200
7 C5x C 12.6673 -15.1200
8 C8y C 13.8797 -14.4200
9 C8y C 13.8797 -13.0200
10 C8y C 12.6673 -12.3200
11 C8y C 15.0921 -15.1200
12 C8x C 16.3046 -14.4200
13 C8x C 16.3046 -13.0200
14 C8y C 15.0921 -12.3200
15 O5x O 12.6673 -16.5200
16 O1a O 10.2424 -16.5198
17 N5x N 12.6673 -10.9200
18 N4y N 15.0921 -10.9203
19 C1b C 16.3254 -10.2080
20 N1b N 15.0921 -16.5197
21 C1b C 17.5315 -10.9041
22 N1b N 18.7133 -10.2216
23 C1b C 19.9076 -10.9110
24 C1b C 21.0954 -10.2251
25 O1a O 22.2866 -10.9128
26 C1b C 16.3254 -17.2320
27 C1b C 17.5315 -16.5359
28 N1b N 18.7133 -17.2184
29 C1b C 19.9076 -16.5290
30 C1b C 21.0954 -17.2149
31 O1a O 22.2866 -16.5272
32 X Cl 27.6500 -11.2700
33 O0 O 28.0700 -15.4700
34 C8x C 9.0300 -13.0200
35 C8x C 9.0300 -14.4200
36 C8y C 10.2424 -15.1200
37 C8y C 11.4549 -14.4200
38 C8y C 11.4549 -13.0200
39 C8x C 10.2424 -12.3200
40 C8y C 12.6673 -12.3200
41 C8y C 13.8797 -13.0200
42 C8y C 13.8797 -14.4200
43 C5x C 12.6673 -15.1200
44 O5x O 12.6673 -16.5200
45 C8y C 15.0921 -15.1200
46 C8x C 16.3046 -14.4200
47 C8x C 16.3046 -13.0200
48 C8y C 15.0921 -12.3200
49 N4y N 15.0921 -10.9203
50 C1b C 16.3254 -10.2080
51 C1b C 17.5315 -10.9041
52 N1b N 18.7133 -10.2216
53 C1b C 19.9076 -10.9110
54 C1b C 21.0954 -10.2251
55 O1a O 22.2866 -10.9128
56 N5x N 12.6673 -10.9200
57 N1b N 15.0921 -16.5197
58 C1b C 16.3254 -17.2320
59 C1b C 17.5315 -16.5359
60 N1b N 18.7133 -17.2184
61 C1b C 19.9076 -16.5290
62 C1b C 21.0954 -17.2149
63 O1a O 22.2866 -16.5272
64 O1a O 10.2424 -16.5198
65 X Cl 27.6500 -11.2700
66 X Cl 27.6500 -11.2700
67 X Cl 27.6500 -11.2700
BOND 68
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 7 15 2
18 3 16 1
19 10 17 2
20 14 18 1
21 18 19 1
22 11 20 1
23 19 21 1
24 17 18 1
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 20 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 34 35 2
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 34 39 1
41 37 43 1
42 43 42 1
43 42 41 1
44 41 40 1
45 38 40 1
46 42 45 2
47 45 46 1
48 46 47 2
49 47 48 1
50 41 48 2
51 43 44 2
52 36 64 1
53 40 56 2
54 48 49 1
55 49 50 1
56 45 57 1
57 50 51 1
58 56 49 1
59 51 52 1
60 52 53 1
61 53 54 1
62 54 55 1
63 57 58 1
64 58 59 1
65 59 60 1
66 60 61 1
67 61 62 1
68 62 63 1
BRACKET 1 8.2600 -18.4100 8.2600 -8.5400
1 23.8700 -8.5400 23.8700 -18.4100
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 7 15 11 12 13 14 18
1 19 21 22 23 24 25 17 20 26 27 28 29 30 31 16
REPEAT 1 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49
1 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64
2 25.8300 -12.3200 25.8300 -10.2900
2 28.7000 -10.2900 28.7000 -12.3200
2 4
ORIGINAL 2 32
REPEAT 2 65 66 67
|
|---|
