CHEBI:135956 - vernakalant

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vernakalant
ChEBI ID CHEBI:135956
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H31NO4
Net Charge 0
Average Mass 349.465
Monoisotopic Mass 349.22531
InChI InChI=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
InChIKey VBHQKCBVWWUUKN-KZNAEPCWSA-N
SMILES O(CCC1=CC(OC)=C(C=C1)OC)[C@H]2[C@@H](CCCC2)N3CC[C@H](C3)O
ChEBI Ontology
Outgoing vernakalant (CHEBI:135956) is a alcohol (CHEBI:30879)
vernakalant (CHEBI:135956) is a phenols (CHEBI:33853)
Synonyms Sources
brinavess DrugCentral
RSD1235 DrugCentral
vernakalant HCl DrugCentral
vernakalant hydrochloride DrugCentral
Manual Xref Database
4365 DrugCentral
View more database links
Registry Number Type Source
794466-70-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017