| Entry |
|
|---|
| Name |
Ametantrone acetate (USAN) |
|---|
| Formula |
C22H28N4O4. (C2H4O2)2
|
|---|
| Exact mass |
532.2533
|
|---|
| Mol weight |
532.59
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01727 Anthraquinone antineoplastic
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Comment |
anthraquinone derivative
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01727 Anthraquinone antineoplastic
D02894 Ametantrone acetate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8x C 17.0800 -15.6100
2 C8x C 17.0800 -17.0100
3 C8x C 18.2700 -17.7100
4 C8y C 19.5300 -17.0100
5 C8y C 19.5300 -15.6100
6 C8x C 18.2700 -14.9100
7 C5x C 20.7200 -17.7100
8 C8y C 21.9100 -17.0100
9 C8y C 21.9100 -15.6100
10 C5x C 20.7200 -14.9100
11 C8y C 23.1700 -17.7100
12 C8x C 24.3600 -17.0100
13 C8x C 24.3600 -15.6100
14 C8y C 23.1700 -14.9100
15 O5x O 20.7200 -13.5100
16 O5x O 20.7200 -19.1100
17 N1b N 23.1700 -13.5100
18 N1b N 23.1700 -19.1100
19 C1b C 24.4300 -19.8100
20 C1b C 25.6200 -19.1100
21 C1b C 25.6200 -13.5100
22 C1b C 24.4300 -12.8100
23 C1b C 28.0000 -13.5100
24 N1b N 26.8100 -12.8100
25 O1a O 30.4500 -13.5100
26 C1b C 29.1900 -12.8100
27 N1b N 26.8100 -19.8100
28 C1b C 28.0000 -19.1100
29 C1b C 29.2600 -19.8100
30 O1a O 30.4500 -19.0400
31 C1a C 35.7700 -17.5700
32 C6a C 36.9600 -16.8700
33 O6a O 38.1500 -17.5700
34 O6a O 36.9600 -15.4700
35 C1a C 35.7700 -17.5700
36 C6a C 36.9600 -16.8700
37 O6a O 38.1500 -17.5700
38 O6a O 36.9600 -15.4700
BOND 38
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 10 15 2
18 7 16 2
19 14 17 1
20 11 18 1
21 18 19 1
22 19 20 1
23 21 22 1
24 22 17 1
25 23 24 1
26 24 21 1
27 25 26 1
28 26 23 1
29 20 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 31 32 1
34 32 33 1
35 32 34 2
36 35 36 1
37 36 37 1
38 36 38 2
BRACKET 1 33.8100 -18.8300 33.8100 -14.4200
1 39.9000 -14.4200 39.9000 -18.8300
1 2
ORIGINAL 1 31 32 33 34
REPEAT 1 35 36 37 38
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