ergometrine

Ligand id: 148

Name: ergometrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 68.36
Molecular weight 325.18
XLogP 0.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
International Nonproprietary Names
INN number INN
390 ergometrine
Synonyms
ergonovine | Ergotrate® | Methergine®
Database Links
CAS Registry No. 60-79-7
ChEBI CHEBI:4822
ChEMBL Ligand CHEMBL119443
DrugBank Ligand DB01253
GtoPdb PubChem SID 135650238
PubChem CID 443884
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Wikipedia Ergometrine
Comments
Ergometrine is an ergot alkaloid which causes contraction of uterine and vascular smooth muscle cells acting through a variety of GPCRs (such as adrenoceptors, dopamine receptors, and 5-HT receptors).