CHEBI:135351 - rotigotine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rotigotine
ChEBI ID CHEBI:135351
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H25NOS
Net Charge 0
Average Mass 315.475
Monoisotopic Mass 315.16569
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
InChIKey KFQYTPMOWPVWEJ-INIZCTEOSA-N
SMILES OC1=C2C(C[C@H](CC2)N(CCC3=CC=CS3)CCC)=CC=C1
ChEBI Ontology
Outgoing rotigotine (CHEBI:135351) is a tetralins (CHEBI:36786)
Synonyms Sources
(S)-(-)-Rotigotine DrugCentral
leganto DrugCentral
neupro DrugCentral
Manual Xref Database
2407 DrugCentral
View more database links
Registry Number Type Source
99755-59-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017