Cisapride

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 57
Total Number of Articles : 108
PubChem 44279790
Molecular Formula

C23H29ClFN3O4

SMILES

CO[C@@H]1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20?,22-/m1/s1

synonyms
  • cisapride
  • 81098-60-4
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Properties
Property Value
MW 465.9 g/mol
HBD 2
HBA 7
Rotatable Bond Count 9
Exact Mass 465.1830623 g/mol
Monoisotopic Mass 465.1830623 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 581
xlogp 3.4
Topological Polar Surface Area 86