methylnaltrexone

Ligand id: 7563

Name: methylnaltrexone

Abbreviated name: MNTX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.76
Molecular weight 356.19
XLogP 0.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one
International Nonproprietary Names
INN number INN
8728 methylnaltrexone bromide
Synonyms
MRZ-2663BR | Relistor®
Database Links
CAS Registry No. 83387-25-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1186579
DrugBank Ligand DB06800
PubChem CID 5361918
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Search UniChem for chemical match using the InChIKey JVLBPIPGETUEET-GAAHOAFPSA-O
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Wikipedia Methylnaltrexone
Comments
The charged tetravalent nitrogen atom in this molecule reduces its ability to cross the blood-brain barrier, thereby restricting its activity to peripheral targets. This type of peripherally acting mu-opioid receptor antagonist is known by the acronym PAMORA.