Salmeterol Xinafoate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 180
Total Number of Articles : 469
PubChem 56801
Molecular Formula

C36H45NO7

SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

InChI

InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)

synonyms
  • salmeterol xinafoate
  • 94749-08-3
  • Salmetedur
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Properties
Property Value
MW 603.7 g/mol
HBD 6
HBA 8
Rotatable Bond Count 17
Exact Mass 603.31960277 g/mol
Monoisotopic Mass 603.31960277 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 2
Complexity 629
xlogp None
Topological Polar Surface Area 140