ergometrine

Ligand id: 148

Name: ergometrine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 68.36
Molecular weight 325.18
XLogP 1.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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®
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).
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