| Entry |
|
|---|
| Name |
Polysorbate 80 (JP18/NF/INN);
Tween 80 (TN) |
|---|
| Formula |
C24H44O6(C2H4O)w(C2H4O)z(C2H4O)y(C2H4O)x
|
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| Structure |
|
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| Simcomp |
|
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| Remark |
|
|---|
| Efficacy |
Pharmaceutic aid (surfactant) |
|---|
| Comment |
w+x+y+z=20
|
|---|
| Brite |
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01067 Polysorbate 80
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| Other DBs |
|
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| KCF data |
ATOM 42
1 C1y C 26.7318 -19.0766
2 C1y C 28.0714 -19.0766
3 C1y C 28.4854 -17.8025
4 O2x O 27.4016 -17.0151
5 C1x C 26.3179 -17.8025
6 O2a O 29.6456 -19.8120
7 C1b C 30.8057 -19.1421
8 O2a O 30.8057 -17.8025
9 C1c C 29.6456 -17.1327
10 C1b C 23.9975 -19.1421
11 O2a O 25.1576 -19.8120
12 O1a O 21.6773 -19.1421
13 C1b C 22.8375 -19.8120
14 C1b C 31.9659 -19.8120
15 O1a O 33.1261 -19.1421
16 C1b C 33.1261 -17.8025
17 C1b C 31.9659 -17.1327
18 C1b C 29.6457 -15.7218
19 O2a O 30.8308 -15.0373
20 C1b C 31.9873 -15.7048
21 C1b C 33.1169 -15.0523
22 O1a O 34.2622 -17.1463
23 O7a O 34.6624 -15.7124
24 C7a C 35.7985 -15.0562
25 C1b C 36.9386 -15.7144
26 C2b C 38.2864 -15.0572
27 O6a O 35.7984 -13.7122
28 C2b C 39.4256 -15.7149
29 C1b C 40.5638 -15.0575
30 C1a C 42.7076 -15.7151
31 C1b C 36.9386 -15.7144
32 C1b C 36.9386 -15.7144
33 C1b C 36.9386 -15.7144
34 C1b C 36.9386 -15.7144
35 C1b C 36.9386 -15.7144
36 C1b C 36.9386 -15.7144
37 C1b C 40.5638 -15.0575
38 C1b C 40.5638 -15.0575
39 C1b C 40.5638 -15.0575
40 C1b C 40.5638 -15.0575
41 C1b C 40.5638 -15.0575
42 C1b C 40.5638 -15.0575
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 8 9 1
8 3 9 1
9 10 11 1
10 12 13 1
11 10 13 1
12 7 14 1
13 14 15 1
14 16 17 1
15 8 17 1
16 1 11 1
17 2 6 1
18 9 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 16 22 1
23 21 23 1
24 23 24 1
25 24 27 2
26 26 28 2
27 24 25 1
28 25 31 1
29 31 32 1
30 32 33 1
31 33 34 1
32 34 35 1
33 35 36 1
34 36 26 1
35 28 29 1
36 29 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 42 30 1
BRACKET 1 22.7500 -20.5100 22.7500 -18.9000
1 25.4800 -18.9000 25.4800 -20.5100
1 w
ORIGINAL 1 10 11 13
REPEAT 1
2 29.4000 -20.5100 29.4000 -18.9000
2 32.0600 -18.9000 32.0600 -20.5100
2 z
ORIGINAL 2 6 7 14
REPEAT 2
3 30.5200 -18.3400 30.5200 -16.7300
3 33.1800 -16.7300 33.1800 -18.3400
3 y
ORIGINAL 3 8 16 17
REPEAT 3
4 30.5200 -16.2400 30.5200 -14.5600
4 33.1800 -14.5600 33.1800 -16.2400
4 x
ORIGINAL 4 19 20 21
REPEAT 4
5 36.6800 -16.5200 36.6800 -14.9800
5 37.3100 -14.9800 37.3100 -16.5200
5 7
ORIGINAL 5 25
REPEAT 5 31 32 33 34 35 36
6 40.1800 -16.3800 40.1800 -14.7700
6 40.8800 -14.7700 40.8800 -16.3800
6 7
ORIGINAL 6 29
REPEAT 6 37 38 39 40 41 42
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