| Entry |
|
|---|
| Name |
Ergonovine maleate (USP);
Ergometrine maleate (JP18);
Ergometrine (TN) |
|---|
| Formula |
C19H23N3O2. C4H4O4
|
|---|
| Exact mass |
441.19
|
|---|
| Mol weight |
441.477
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01964 Ergot alkaloid
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Hemostatic, Oxytocic |
|---|
| Comment |
Ergot alkaloid
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07215 | alpha-Adrenergic receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02A UTEROTONICS
G02AB Ergot alkaloids
G02AB03 Ergometrine
D01163 Ergonovine maleate (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG00446 Ergometrine
D01163 Ergonovine maleate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00446 Ergometrine
D01163 Ergonovine maleate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRA1
D01163 Ergonovine maleate (USP)
ADRA2
D01163 Ergonovine maleate (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01163 Ergometrine maleate
D01163 Ergometrine maleate tablets
D01163 Ergometrine maleate injection
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01163
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01964 Ergot alkaloid
DG00446 Ergometrine
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00446 Ergometrine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C8x C 21.3905 -16.1433
2 C8x C 21.3905 -17.5095
3 C8x C 22.5765 -15.4603
4 C8y C 23.7556 -16.1433
5 C1x C 26.1159 -17.5196
6 C2y C 24.9417 -15.4653
7 C1y C 26.1161 -16.1562
8 N1y N 27.3016 -15.4845
9 C1y C 26.1385 -13.4312
10 C2x C 24.9528 -14.1026
11 C8y C 23.7498 -17.5095
12 C8y C 22.5732 -18.1867
13 N4x N 22.5716 -19.5443
14 C8x C 24.9230 -19.5472
15 C8y C 24.9246 -18.1897
16 C5a C 26.0796 -12.0650
17 N1b N 27.2683 -11.3917
18 O5a O 24.9022 -11.3722
19 C1c C 28.4457 -12.0844
20 C1b C 29.6345 -11.4111
21 C1a C 28.4791 -16.1774
22 C1x C 27.3159 -14.1239
23 O1a O 30.8223 -12.1102
24 C1a C 28.4344 -13.5099
25 C6a C 37.4774 -17.5583
26 C2b C 36.7961 -16.3829
27 O6a O 36.8023 -18.7398
28 O6a O 38.8405 -17.5519
29 C2b C 35.1644 -16.3890
30 C6a C 34.4892 -17.5706
31 O6a O 33.1261 -17.5706
32 O6a O 35.1769 -18.7460
BOND 34
1 16 17 1
2 4 3 2
3 16 18 2
4 3 1 1
5 17 19 1
6 19 20 1
7 6 7 1
8 8 21 1
9 7 8 1
10 8 22 1
11 22 9 1
12 9 10 1
13 10 6 2
14 4 11 1
15 15 5 1
16 5 7 1
17 6 4 1
18 11 12 2
19 12 13 1
20 14 15 2
21 15 11 1
22 13 14 1
23 1 2 2
24 9 16 1 #Up
25 2 12 1
26 20 23 1
27 19 24 1 #Down
28 25 26 1
29 25 27 1
30 25 28 2
31 26 29 2
32 29 30 1
33 30 31 1
34 30 32 2
|
|---|
