| Entry |
|
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| Name |
Tretinoin tocoferil (JAN);
Tocoretinate |
|---|
| Formula |
C49H76O3
|
|---|
| Exact mass |
712.5794
|
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| Mol weight |
713.1259
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Vitamin and mineral
DG01604 Retinol derivative
|
|---|
| Remark |
| Therapeutic category: | 2699 |
| Product (DG00433): | D00094<JP/US> D01516<JP> |
|
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| Efficacy |
Anti-ulcerative (skin), Retinoic acid receptor (RAR) agonist |
|---|
| Comment |
Retinol derivative
|
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| Target |
|
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| Pathway |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D10 ANTI-ACNE PREPARATIONS
D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AD Retinoids for topical use in acne
D10AD01 Tretinoin
D01516 Tretinoin tocoferil (JAN) <JP>
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XF Retinoids for cancer treatment
L01XF01 Tretinoin
D01516 Tretinoin tocoferil (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
26 Epidermides
269 Miscellaneous
2699 Others
D01516 Tretinoin tocoferil (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Tretinoin tocoferil
D01516 Tretinoin tocoferil (JAN)
Drug groups [BR:br08330]
Vitamin and mineral
DG01604 Retinol derivative
DG00433 Tretinoin
D01516 Tretinoin tocoferil
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Retinoic acid receptor (RAR)
NR1B (RAR)
D01516 Tretinoin tocoferil (JAN) <JP>
Drug groups [BR:br08330]
Vitamin and mineral
DG01604 Retinol derivative
DG00433 Tretinoin
|
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| Other DBs |
|
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| KCF data |
ATOM 52
1 C2y C 8.4700 -22.8900
2 C1z C 7.2100 -22.1900
3 C2y C 8.4700 -24.3600
4 C1x C 6.0200 -22.8900
5 C1a C 7.9100 -21.0000
6 C1a C 6.5100 -21.0000
7 C1x C 7.2100 -25.0600
8 C1a C 9.6600 -25.0600
9 C1x C 6.0200 -24.3600
10 C2b C 9.6600 -22.1900
11 C2b C 10.8500 -22.8900
12 C2c C 12.1100 -22.1900
13 C2b C 13.3000 -22.8900
14 C2b C 14.4900 -22.1900
15 C2b C 15.6800 -22.8900
16 C2c C 16.9400 -22.1900
17 C2b C 18.1300 -22.8900
18 C7a C 19.3200 -22.1900
19 O7a O 20.5100 -22.8900
20 O6a O 19.3200 -20.7900
21 C8y C 21.7700 -22.1900
22 C1a C 12.1100 -20.7900
23 C1a C 16.9400 -20.7900
24 C8y C 22.9600 -22.8900
25 C8y C 22.9600 -20.0900
26 C8y C 21.7700 -20.7900
27 C8y C 24.1500 -20.7900
28 C8y C 24.1500 -22.1900
29 C1x C 25.4100 -22.8900
30 C1x C 26.6000 -22.1900
31 C1z C 26.6000 -20.7900
32 O2x O 25.4100 -20.0900
33 C1a C 20.5100 -20.0900
34 C1a C 22.9600 -18.6900
35 C1a C 22.9600 -24.2900
36 C1b C 27.7900 -20.0900
37 C1b C 28.9100 -20.7900
38 C1b C 30.1700 -20.0900
39 C1c C 31.3600 -20.7900
40 C1b C 32.5500 -20.0900
41 C1b C 33.8100 -20.7900
42 C1b C 35.0000 -20.0900
43 C1c C 36.1900 -20.7900
44 C1b C 37.3800 -20.0900
45 C1b C 38.6400 -20.7900
46 C1a C 27.7900 -21.4900
47 C1a C 31.3600 -22.1900
48 C1a C 36.1900 -22.1900
49 C1b C 39.8300 -20.0900
50 C1c C 41.0200 -20.7900
51 C1a C 42.2800 -20.0900
52 C1a C 41.0200 -22.1900
BOND 54
1 27 25 1
2 25 26 2
3 26 21 1
4 12 13 2
5 2 5 1
6 13 14 1
7 2 6 1
8 14 15 2
9 3 7 1
10 27 28 2
11 28 29 1
12 29 30 1
13 30 31 1
14 31 32 1
15 32 27 1
16 15 16 1
17 26 33 1
18 3 8 1
19 25 34 1
20 16 17 2
21 24 35 1
22 4 9 1
23 31 36 1
24 17 18 1
25 36 37 1
26 7 9 1
27 37 38 1
28 18 19 1
29 38 39 1
30 39 40 1
31 18 20 2
32 40 41 1
33 1 10 1
34 41 42 1
35 19 21 1
36 42 43 1
37 1 2 1
38 43 44 1
39 12 22 1
40 44 45 1
41 10 11 2
42 31 46 1 #Up
43 16 23 1
44 39 47 1 #Up
45 1 3 2
46 43 48 1 #Up
47 11 12 1
48 45 49 1
49 2 4 1
50 49 50 1
51 21 24 2
52 50 51 1
53 24 28 1
54 50 52 1
|
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