| Entry |
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| Name |
Aminopterin sodium (INN) |
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| Formula |
C19H18N8O5. 2Na
|
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| Exact mass |
484.1196
|
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| Mol weight |
484.38
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
|
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| Efficacy |
Antineoplastic, Antimetabolite |
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| Interaction |
|
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| Structure map |
| map07041 | Antineoplastics - antimetabolic agents |
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| Other map |
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| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
D02527 Aminopterin sodium
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 34
1 C8y C 10.7800 -5.9500
2 N5x N 10.7800 -7.3500
3 C8y C 11.9924 -8.0500
4 C8y C 13.2049 -7.3500
5 C8y C 13.2049 -5.9500
6 N5x N 11.9924 -5.2500
7 N5x N 14.4173 -8.0500
8 C8y C 15.6297 -7.3500
9 C8x C 15.6297 -5.9500
10 N5x N 14.4173 -5.2500
11 N1a N 9.5676 -5.2500
12 N1a N 11.9924 -9.4498
13 C1b C 16.8273 -8.0415
14 N1b N 18.0156 -7.3555
15 C8y C 19.2064 -8.0431
16 C8x C 19.2064 -9.4498
17 C8x C 20.4188 -10.1498
18 C8y C 21.6312 -9.4498
19 C8x C 21.6312 -8.0432
20 C8x C 20.4188 -7.3431
21 C5a C 22.8428 -10.1493
22 N1b N 24.0377 -9.4593
23 O5a O 22.8429 -11.5498
24 C1c C 25.2254 -10.1449
25 C1b C 26.4165 -9.4570
26 C1b C 27.6060 -10.1438
27 C6a C 25.2255 -11.5498
28 O6a O 26.4189 -12.2388 #-
29 O6a O 23.9940 -12.2611
30 C6a C 28.7961 -9.4565
31 O6a O 29.9862 -10.1435 #-
32 O6a O 28.7962 -8.0502
33 Z Na 28.1400 -12.3200 #+
34 Z Na 31.9200 -10.1500 #+
BOND 34
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 3 12 1
14 8 13 1
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 24 27 1 #Up
30 27 28 1
31 27 29 2
32 26 30 1
33 30 31 1
34 30 32 2
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