roxatidine acetate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 36
Total Number of Articles : 24
PubChem 5105
Molecular Formula

C19H28N2O4

SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)

synonyms
  • ROXATIDINE ACETATE
  • 78628-28-1
  • Aceroxatidine
Click to show/hide the synonyms
Properties
Property Value
MW 348.4 g/mol
HBD 1
HBA 5
Rotatable Bond Count 10
Exact Mass 348.20490738 g/mol
Monoisotopic Mass 348.20490738 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 410
xlogp 2.1
Topological Polar Surface Area 67.9