| Entry |
|
|---|
| Name |
Folinic acid calcium salt pentahydrate;
Leucovorin calcium pentahydrate;
Leucovorin (TN) |
|---|
| Formula |
C20H21N7O7. Ca. 5H2O
|
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| Exact mass |
601.1657
|
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| Mol weight |
601.58
|
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| Structure |
|
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| Simcomp |
|
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| Remark |
| Product (DG02073): | D01211<JP/US> |
|
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| Efficacy |
Antidote (antifolate) |
|---|
| Comment |
Tetrahydrofolic acid [CPD: C00101] derivative
|
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| Other map |
|
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| Other DBs |
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| KCF data |
ATOM 40
1 O0 O 19.5300 -19.1100
2 O0 O 23.6600 -19.1100
3 O0 O 27.8600 -18.9700
4 O0 O 21.3500 -20.5800
5 O0 O 26.1100 -20.5100
6 C1c C 24.0800 -14.1400
7 C1b C 25.2700 -14.8400
8 C6a C 24.0800 -12.7400
9 C8y C 11.9700 -17.0100
10 N1y N 13.1600 -16.3100
11 C8y C 11.9700 -18.4100
12 C8y C 10.7100 -16.3100
13 C1y C 14.4200 -17.0100
14 N1x N 13.1600 -19.1100
15 N4x N 10.7100 -19.1100
16 N5x N 9.5200 -17.0100
17 O5x O 10.7100 -14.9100
18 C1x C 14.4200 -18.4100
19 C1b C 15.6100 -16.3100
20 C8y C 9.5200 -18.4100
21 N1a N 8.3300 -19.1100
22 N1b N 16.8000 -17.0100
23 C8y C 17.9900 -16.3100
24 C8x C 17.9900 -14.9100
25 C8x C 19.1800 -14.2100
26 C8y C 20.4400 -14.9100
27 C8x C 20.4400 -16.3100
28 C8x C 19.2500 -17.0100
29 C5a C 21.6300 -14.2100
30 N1b N 22.8900 -14.9100
31 O5a O 21.6300 -12.8100
32 O6a O 25.2700 -12.0400 #-
33 C1b C 26.4600 -14.1400
34 O6a O 22.8900 -12.0400
35 C6a C 27.6500 -14.8400
36 O6a O 28.9100 -14.0700 #-
37 O6a O 27.6500 -16.2400
38 C4a C 13.1600 -14.9100
39 O4a O 14.3500 -14.2100
40 Z Ca 27.1600 -12.3900 #2+
BOND 36
1 6 7 1
2 6 8 1
3 9 10 1
4 9 11 2
5 9 12 1
6 10 13 1
7 11 14 1
8 11 15 1
9 12 16 1
10 12 17 2
11 13 18 1
12 13 19 1
13 15 20 1
14 20 21 1
15 14 18 1
16 16 20 2
17 19 22 1
18 22 23 1
19 23 24 2
20 24 25 1
21 25 26 2
22 26 27 1
23 27 28 2
24 23 28 1
25 26 29 1
26 29 30 1
27 29 31 2
28 6 30 1
29 8 32 1
30 7 33 1
31 8 34 2
32 33 35 1
33 35 36 1
34 35 37 2
35 10 38 1
36 38 39 2
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