rotigotine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 47
Total Number of Articles : 55
PubChem 59227
Molecular Formula

C19H25NOS

SMILES

CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O

InChI

InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1

synonyms
  • Rotigotine
  • 99755-59-6
  • Neupro
Click to show/hide the synonyms
Properties
Property Value
MW 315.5 g/mol
HBD 1
HBA 3
Rotatable Bond Count 6
Exact Mass 315.16568559 g/mol
Monoisotopic Mass 315.16568559 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 337
xlogp 4.9
Topological Polar Surface Area 51.7