Xamoterol Hemifumarate
[CAS# 81801-12-9]

Identification

• Name: Xamoterol Hemifumarate
• Synonyms: N-[2-[[2-Hydroxy-3-(4-Hydroxyphenoxy)Propyl]Amino]Ethyl]-4-Morpholinecarboxamide; Prestwick2_000923; Xamoterol (Usan)
• Molecular Formula: C₁₆H₂₅N₃O₅
• Molecular Weight: 339.39
• CAS Registry Number: 81801-12-9
• SMILES: C2=C(OCC(CNCCNC(N1CCOCC1)=O)O)C=CC(=C2)O
• InChI: 1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)
• InChIKey: DXPOSRCHIDYWHW-UHFFFAOYSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 651.391°C at 760 mmHg (Cal.)
• Flash point: 347.749°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57
• (2): Jayaprakash Pagadala, Kimberly Williams-Guy, Mohammed M. NoohCurrent address: Department of Biochemistry, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt, Jena J. Steinle and Duane D. Miller. Beta-adrenergic receptor signaling by the isomers of isoproterenol and like drugs in retinal endothelial cells and Müller cells, Med. Chem. Commun., 2011, 2, 726.