Methylnaltrexone
[CAS# 83387-25-1]

Identification

• Name: Methylnaltrexone
• Synonyms: 17-(Cyclopropylmethyl)-4,5Alpha-Epoxy-3,14-Dihydroxy-17-Methyl-6-Oxomorphinanium; Methylnaltrexone; Methylnaltrexonium
• Molecular Formula: C₂₁H₂₆NO₄
• Molecular Weight: 356.44
• CAS Registry Number: 83387-25-1
• SMILES: [C@@H]15CC4=C3[C@@]2([C@]1(CCC(=O)[C@@H]2OC3=C(C=C4)O)O)CC[N+]5(CC6CC6)C
• InChI: 1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1
• InChIKey: JVLBPIPGETUEET-GAAHOAFPSA-O