| Entry |
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| Name |
Tocoretinate;
Tretinoin tocoferil
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| Formula |
C49H76O3
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| Exact mass |
712.5794
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| Mol weight |
713.1259
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| Structure |
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| Remark |
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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>
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 52
1 C2y C 8.4684 -22.8856
2 C1z C 7.2086 -22.1857
3 C2y C 8.4684 -24.3553
4 C1x C 6.0188 -22.8856
5 C1a C 7.9085 -20.9959
6 C1a C 6.5087 -20.9959
7 C1x C 7.2086 -25.0551
8 C1a C 9.6581 -25.0551
9 C1x C 6.0188 -24.3553
10 C2b C 9.6581 -22.1857
11 C2b C 10.8479 -22.8856
12 C2c C 12.1077 -22.1857
13 C2b C 13.2974 -22.8856
14 C2b C 14.4872 -22.1857
15 C2b C 15.6770 -22.8856
16 C2c C 16.9367 -22.1857
17 C2b C 18.1265 -22.8856
18 C7a C 19.3163 -22.1857
19 O7a O 20.5060 -22.8856
20 O6a O 19.3163 -20.7860
21 C8y C 21.7658 -22.1857
22 C1a C 12.1077 -20.7860
23 C1a C 16.9367 -20.7860
24 C8y C 22.9555 -22.8856
25 C8y C 22.9555 -20.0861
26 C8y C 21.7658 -20.7860
27 C8y C 24.1453 -20.7860
28 C8y C 24.1453 -22.1857
29 C1x C 25.4051 -22.8856
30 C1x C 26.5948 -22.1857
31 C1z C 26.5948 -20.7860
32 O2x O 25.4051 -20.0861
33 C1a C 20.5060 -20.0861
34 C1a C 22.9555 -18.6864
35 C1a C 22.9555 -24.2853
36 C1b C 27.7846 -20.0861
37 C1b C 28.9044 -20.7860
38 C1b C 30.1642 -20.0861
39 C1c C 31.3539 -20.7860
40 C1b C 32.5437 -20.0861
41 C1b C 33.8034 -20.7860
42 C1b C 34.9932 -20.0861
43 C1c C 36.1830 -20.7860
44 C1b C 37.3728 -20.0861
45 C1b C 38.6325 -20.7860
46 C1a C 27.7846 -21.4858
47 C1a C 31.3539 -22.1857
48 C1a C 36.1830 -22.1857
49 C1b C 39.8223 -20.0861
50 C1c C 41.0120 -20.7860
51 C1a C 42.2718 -20.0861
52 C1a C 41.0120 -22.1857
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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