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CHEBI:135956 - vernakalant

ChEBI IDCHEBI:135956
ChEBI Namevernakalant
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC20H31NO4
Net Charge0
Average Mass349.471
Monoisotopic Mass349.22531
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
InChIInChI=1S/C20H31NO4/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3/t16-,17-,18-/m1/s1
InChIKeyVBHQKCBVWWUUKN-KZNAEPCWSA-N
ChEBI Ontology
Outgoing Relation(s)
vernakalant (CHEBI:135956) is a alcohol (CHEBI:30879)
vernakalant (CHEBI:135956) is a phenols (CHEBI:33853)
Synonyms  Source
vernakalant HClDrugCentral
RSD1235DrugCentral
vernakalant hydrochlorideDrugCentral
brinavessDrugCentral
Manual XrefsDatabases
4365DrugCentral
Registry NumbersSources
CAS:794466-70-9DrugCentral