 | | DRUG: Tricaprilin | |
| Entry |
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| Name |
Tricaprilin (JAN/USAN) |
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| Formula |
C27H50O6
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| Exact mass |
470.3607
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| Mol weight |
470.6823
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| Structure |
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| Simcomp |
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| Remark |
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| Efficacy |
Dementia therapeutic agent, Pharmaceutic aid (excipient, solvent) |
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| Comment |
Treatment of Alzheimer's disease
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| Other DBs |
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| KCF data |
ATOM 33
1 O6a O 20.2891 -19.9867
2 C7a C 20.2942 -18.5867
3 C7a C 15.4372 -15.7760
4 O7a O 16.6490 -16.4783
5 O6a O 15.4395 -14.3725
6 O6a O 21.5075 -12.2850
7 O7a O 20.2913 -14.3805
8 C7a C 21.5026 -13.6857
9 C1b C 17.8657 -15.7786
10 C1c C 19.0776 -16.4809
11 O7a O 19.0781 -17.8780
12 C1b C 20.2935 -15.7798
13 C1b C 22.7180 -14.3924
14 C1b C 23.9440 -13.6890
15 C1b C 25.1648 -14.3981
16 C1b C 26.3434 -13.7218
17 C1b C 27.5356 -14.4144
18 C1b C 28.7282 -13.7301
19 C1a C 29.9132 -14.4186
20 C1b C 21.4992 -17.8975
21 C1b C 22.7116 -18.6040
22 C1b C 23.8961 -17.9263
23 C1b C 25.0834 -18.6183
24 C1b C 26.2802 -17.9336
25 C1b C 27.4613 -18.6219
26 C1a C 28.6612 -17.9354
27 C1b C 14.2594 -16.4532
28 C1b C 13.0624 -15.7591
29 C1b C 11.8734 -16.4427
30 C1b C 10.6854 -15.7538
31 C1b C 9.4919 -16.4400
32 C1b C 8.3061 -15.7525
33 C1a C 7.1115 -16.4394
BOND 32
1 3 5 2
2 2 1 2
3 7 8 1
4 8 6 2
5 9 10 1
6 10 11 1
7 11 2 1
8 3 4 1
9 10 12 1
10 12 7 1
11 9 4 1
12 8 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 2 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 3 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
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