Basic Information
ID DDInter1188
Drug Type small molecule
Molecular Formula C21H26NO4
Molecular Weight 356.441
CAS Number 916055-93-1
Description Methylnaltrexone is a pheriphally-acting μ-opioid antagonist that acts on the gastrointestinal tract to decrease opioid-induced constipation without producing analgesic effects or withdrawal symptoms. It is also a weak CYP2D6 inhibitor. FDA approved in 2008.
ATC Classification A06AH01
IUPAC Name (1S,4R,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-4-ium
InChI JVLBPIPGETUEET-WIXLDOGYSA-O
Canonical SMILES C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35
Useful Links DrugBank PubChem Substance KEGG Drug ChemSpider Wikipedia ChEMBL ZINC
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