mesulergine

Ligand id: 206

Name: mesulergine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 65.96
Molecular weight 362.18
XLogP 1.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
International Nonproprietary Names
INN number INN
5161 mesulergine
Synonyms
CQ 32085
Database Links
CAS Registry No. 64795-35-3 (source: Scifinder)
ChEBI CHEBI:73378
ChEMBL Ligand CHEMBL12314
PubChem CID 68848
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Wikipedia Mesulergine