| Entry |
|
|---|
| Name |
Estetrol (JAN/USAN);
Estetrol hydrous |
|---|
| Formula |
C18H24O4. H2O
|
|---|
| Exact mass |
322.1780
|
|---|
| Mol weight |
322.40
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (mixture): | D12047<US> |
|
|---|
| Efficacy |
Replenisher (estrogen), Estrogen receptor agonist |
|---|
| Comment |
Prevention of pregnancy and treatment of menopause VMS (vasomotor symptoms) and VVA (vulvar-vaginal atrophy)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D11514 Estetrol (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8x C 14.4999 -17.2317
2 C8y C 14.4999 -18.6327
3 C8x C 15.6907 -19.2631
4 C8y C 16.8815 -18.6327
5 C8y C 16.8815 -17.2317
6 C8x C 15.6907 -16.5313
7 C1x C 18.0723 -19.2631
8 C1x C 19.1931 -18.6327
9 C1y C 19.1931 -17.2317
10 C1y C 18.0723 -16.5313
11 C1y C 20.3839 -16.5313
12 C1z C 20.3839 -15.2004
13 C1x C 19.1931 -14.4999
14 C1x C 18.0723 -15.2004
15 C1y C 22.7655 -16.5313
16 C1y C 22.7655 -15.2004
17 C1y C 21.5747 -14.4999
18 O1a O 13.3091 -19.2631
19 C1a C 20.3839 -13.7994
20 O1a O 21.5747 -13.1690
21 O1a O 23.7462 -17.5119
22 O1a O 23.9563 -14.4999
23 O0 O 24.7800 -19.6700
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 12 19 1 #Up
23 17 20 1 #Up
24 15 21 1 #Down
25 16 22 1 #Down
|
|---|
