| Entry |
|
|---|
| Name |
Cloprostenol sodium (USP);
Estrumate (TN) |
|---|
| Formula |
C22H28ClO6. Na
|
|---|
| Exact mass |
446.1472
|
|---|
| Mol weight |
446.89
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Oxytocic (veterinary) |
|---|
| Comment |
Prostaglandin derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGFR
D02727 Cloprostenol sodium (USP)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1y C 21.0961 -17.5170
2 C1y C 21.0961 -16.1154
3 C1y C 19.7631 -15.6823
4 C1x C 18.9393 -16.8162
5 C1y C 19.7631 -17.9501
6 O1a O 19.3338 -19.2711
7 O1a O 19.3338 -14.3612
8 C1b C 22.3099 -15.4146
9 C2b C 23.5237 -16.1154
10 C2b C 24.9253 -16.1154
11 C1b C 26.1642 -15.4146
12 C1b C 27.3780 -16.1154
13 C1b C 28.5918 -15.4146
14 C6a C 29.8056 -16.1154
15 O6a O 31.0194 -15.4146 #-
16 C2b C 22.3099 -18.2178
17 C2b C 23.5237 -17.5170
18 C1c C 24.7375 -18.2178
19 C1b C 25.9512 -17.5170
20 O2a O 27.1651 -18.2178
21 O1a O 24.7375 -19.6193
22 C8y C 27.1651 -19.6193
23 C8x C 25.9724 -20.3082
24 C8x C 25.9726 -21.7098
25 C8x C 27.1865 -22.4104
26 C8y C 28.3793 -21.7215
27 C8x C 28.3790 -20.3199
28 X Cl 29.5970 -22.4243
29 O6a O 29.8056 -17.5169
30 Z Na 33.6402 -15.4146 #+
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Up
7 3 7 1 #Up
8 2 8 1 #Up
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 1 16 1 #Down
17 16 17 2
18 17 18 1
19 18 19 1
20 19 20 1
21 18 21 1 #Up
22 20 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 26 27 2
28 22 27 1
29 26 28 1
30 14 29 2
|
|---|
