| Entry |
|
|---|
| Name |
Norelgestromin (USP/INN) |
|---|
| Formula |
C21H29NO2
|
|---|
| Exact mass |
327.2198
|
|---|
| Mol weight |
327.4605
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (mixture): | D10839<US> |
|
|---|
| Efficacy |
Contraceptive |
|---|
| Comment |
Progestin
Component of Ortho Evra (TN), Xulane (TN)
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04914 | Progesterone-mediated oocyte maturation |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C3 (PGR)
D05205 Norelgestromin (USP/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 24
1 C1x C 38.1698 -26.8652
2 C2y C 38.1698 -28.2186
3 C2x C 39.3417 -28.8953
4 C2y C 40.5138 -28.2186
5 C1y C 40.5138 -26.8652
6 C1x C 39.3417 -26.1886
7 C1x C 41.6858 -28.8953
8 C1x C 42.8577 -28.2186
9 C1y C 42.8577 -26.8652
10 C1y C 41.6858 -26.1886
11 C1y C 44.0298 -26.1886
12 C1z C 44.0298 -24.8353
13 C1x C 42.8577 -24.1587
14 C1x C 41.6858 -24.8353
15 C1x C 46.3738 -26.1886
16 C1x C 46.3738 -24.8353
17 C1z C 45.2018 -24.1587
18 N2b N 36.9978 -28.8953
19 C1b C 44.0298 -23.4819
20 O1a O 45.2018 -22.5295
21 C3b C 46.3960 -23.4691
22 C3a C 47.5904 -22.7796
23 C1a C 42.8300 -22.7892
24 O1b O 35.7818 -28.1935
BOND 27
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
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 2
22 12 19 1 #Up
23 17 20 1 #Up
24 17 21 1 #Down
25 21 22 3
26 19 23 1
27 18 24 1
|
|---|
