Rotigotine

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Properties Simple | Detailed

Formula C19H25NOS
IUPAC Name (2s)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol
Molecular Mass 315.473 g·mol−1
Heat of Formation -79.6 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 404.23 Å 3
Surface Area 351.09 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-n-0437
  • (2s)-2-[propyl-[2-(2-thienyl)ethyl]amino]-5-tetralinol
  • (2s)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol
  • (6s)-6-(propyl-(2-thiophen-2-ylethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
  • d05768
  • neupro
  • rotigotine (usan)
  • rotigotine cds
InChIKey KFQYTPMOWPVWEJ-INIZCTEOSA-N
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