rotigotine (neupro) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

315.473

ALogP

4.27

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(O)C=CC=C3C2
  • InChIKey: KFQYTPMOWPVWEJ-INIZCTEOSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1303   ChEMBL
rotigotine

87T4T8BO2E   NCATS
rotigotine *

Rotigotine   Wikipedia

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