Entry |
|
Name |
Nylestriol (USAN); Nilestriol (INN) |
Formula |
C25H32O3
|
Exact mass |
380.2351
|
Mol weight |
380.5198
|
Structure |
|
Simcomp |
|
Class |
|
Efficacy |
Replenisher (estrogen) |
Comment |
Estrogen
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
D05212 Nylestriol
DG01584 Estrogen receptor agonist
D05212 Nylestriol
|
Other DBs |
|
KCF data |
ATOM 28
1 C8y C 31.6581 -18.0945
2 C8y C 31.6522 -19.4765
3 C8x C 30.4708 -17.3975
4 C8x C 30.4708 -20.1676
5 C8x C 29.2599 -18.0945
6 C8y C 29.2599 -19.4765
7 O2a O 28.0551 -20.1618
8 C1y C 26.8418 -19.4510
9 C1x C 26.8418 -18.0510
10 C1x C 25.5103 -17.6183
11 C1x C 24.6874 -18.7510
12 C1x C 25.5103 -19.8836
13 C1x C 32.8616 -20.1817
14 C1x C 34.0770 -19.4868
15 C1y C 34.0829 -18.1049
16 C1y C 32.8735 -17.3997
17 C1y C 35.2983 -17.4100
18 C1z C 35.3043 -16.0101
19 C1x C 34.0949 -15.3049
20 C1x C 32.8795 -15.9997
21 C1x C 37.7232 -17.4204
22 C1y C 37.7292 -16.0204
23 C1z C 36.5197 -15.3152
24 C1a C 35.3043 -14.6101
25 O1a O 36.5197 -13.6352
26 C3b C 37.7322 -14.6152
27 O1a O 38.9411 -15.3276
28 C3a C 38.9446 -13.9152
BOND 32
1 1 2 1
2 1 3 2
3 2 4 2
4 3 5 1
5 4 6 1
6 6 7 1
7 5 6 2
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 8 12 1
14 2 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 1 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 16 20 1
24 17 21 1
25 21 22 1
26 22 23 1
27 18 23 1
28 18 24 1 #Up
29 23 25 1 #Up
30 23 26 1 #Down
31 22 27 1 #Down
32 26 28 3
|