Chemical Entities of Biological Interest Ontology

Last uploaded: December 1, 2024
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Preferred Name

rotigotine
Synonyms

leganto

(S)-(-)-Rotigotine

neupro
ID

http://purl.obolibrary.org/obo/CHEBI_135351
charge

0
database_cross_reference

Drug_Central:2407

CAS:99755-59-6
formula

C19H25NOS
has_obo_namespace

chebi_ontology
has_related_synonym

leganto

(S)-(-)-Rotigotine

neupro
id

CHEBI:135351
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
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
label

rotigotine
mass

315.475
monoisotopicmass

315.16569
notation

CHEBI:135351
prefLabel

rotigotine
smiles

OC1=C2C(C[C@H](CC2)N(CCC3=CC=CS3)CCC)=CC=C1
treeView

http://purl.obolibrary.org/obo/CHEBI_36786
subClassOf

http://purl.obolibrary.org/obo/CHEBI_36786
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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_135351 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135351 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135351 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135351 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135351 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_135351 DRON LOOM
http://purl.obolibrary.org/obo/dinto_DB05271 DINTO LOOM
http://purl.bioontology.org/ontology/RXNORM/616739 RXNORM LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026549 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171794 NDFRT LOOM
http://www.drugbank.ca/drugs/DB05271 FTC LOOM
http://purl.bioontology.org/ontology/VANDF/4025266 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/421924006 SNOMEDCT LOOM
http://www.semanticweb.org/ontologies/2011/1/Ontology1296772722296.owl#EPO_00000077 PDON LOOM
http://purl.obolibrary.org/obo/NCIT_C77566 BERO LOOM
http://purl.bioontology.org/ontology/NDDF/011270 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C77566 NCIT LOOM
http://purl.bioontology.org/ontology/ATC/N04BC09 ATC LOOM
http://purl.obolibrary.org/obo/CHEBI_135351 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_135351 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_135351 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_135351 DDSS LOOM
http://purl.bioontology.org/ontology/MESH/C047508 MESH LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000779014 PDQ LOOM
https://go.drugbank.com/drugs/DB05271 MDM LOOM