| Entry |
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| Name |
Phytate sodium (USAN);
Rencal (TN) |
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| Formula |
C6H6O24P6. 9Na. 3H
|
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| Exact mass |
857.6989
|
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| Mol weight |
857.87
|
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| Structure |
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| Simcomp |
|
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| Efficacy |
Chelating agent (calcium) |
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| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Phytin
D05470 Phytate sodium (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 45
1 Z Na 31.6635 -24.4984 #+
2 O1c O 20.4794 -18.1163 #-
3 P1b P 21.8737 -18.1163
4 O1c O 23.2679 -18.1163
5 O2b O 21.8737 -19.5105
6 O1c O 21.8737 -16.7221 #-
7 P1b P 24.6613 -25.0179
8 O2b O 24.6613 -23.7630
9 O1c O 23.2670 -25.0179 #-
10 O1c O 24.6613 -26.4122 #-
11 O1c O 25.9161 -25.0179
12 O2b O 24.6613 -18.1860
13 P1b P 27.4485 -23.7630
14 O2b O 27.4485 -22.3688
15 O1c O 26.0542 -23.7630
16 O1c O 27.4485 -25.0876 #-
17 O1c O 28.8428 -23.7630 #-
18 C1y C 25.7766 -21.6717
19 C1y C 25.7766 -20.2775
20 C1y C 24.6613 -22.3688
21 C1y C 24.6613 -19.5802
22 O2b O 26.9618 -19.5802
23 C1y C 23.4761 -21.6717
24 C1y C 23.4761 -20.2775
25 P1b P 28.3560 -19.5802
26 O2b O 22.2212 -22.3688
27 O1c O 29.7504 -19.5802 #-
28 O1c O 28.3560 -20.9746 #-
29 O1c O 28.3560 -18.1860
30 P1b P 20.8967 -22.3688
31 O1c O 19.5025 -22.3688 #-
32 O1c O 20.8967 -23.7630 #-
33 O1c O 20.8964 -20.9746
34 P1b P 24.6613 -16.7918
35 O1c O 24.6613 -15.3974 #-
36 O1c O 26.0555 -16.7918 #-
37 O1c O 23.2670 -16.7918
38 Z Na 31.7100 -21.4900 #+
39 Z Na 31.2200 -17.9900 #+
40 Z Na 24.5700 -13.0200 #+
41 Z Na 25.6900 -28.8400 #+
42 Z Na 21.5600 -27.9300 #+
43 Z Na 18.0600 -25.4800 #+
44 Z Na 17.1500 -18.4800 #+
45 Z Na 19.2762 -15.1516 #+
BOND 36
1 3 6 1
2 7 8 1
3 7 9 1
4 7 10 1
5 7 11 2
6 2 3 1
7 3 4 2
8 3 5 1
9 13 14 1
10 13 15 2
11 13 16 1
12 13 17 1
13 18 14 1 #Down
14 18 19 1
15 18 20 1
16 19 21 1
17 19 22 1 #Up
18 20 23 1
19 20 8 1 #Up
20 21 24 1
21 21 12 1 #Down
22 22 25 1
23 23 26 1 #Up
24 24 5 1 #Up
25 25 27 1
26 25 28 1
27 25 29 2
28 26 30 1
29 30 31 1
30 30 32 1
31 30 33 2
32 23 24 1
33 12 34 1
34 34 35 1
35 34 36 1
36 34 37 2
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