CHEBI:177465 - Lersivirine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lersivirine
ChEBI ID CHEBI:177465
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H18N4O2
Net Charge 0
Average Mass 310.357
Monoisotopic Mass 310.14298
InChI InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
InChIKey MCPUZZJBAHRIPO-UHFFFAOYSA-N
SMILES O(C1=C(N(N=C1CC)CCO)CC)C2=CC(=CC(=C2)C#N)C#N
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Lersivirine (CHEBI:177465) is a aromatic ether (CHEBI:35618)
IUPAC Name
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile
Manual Xrefs Databases
10705150 ChemSpider
D09634 KEGG DRUG
DB11649 KEGG DRUG
LSM-45853 LINCS
ZZE PDBeChem
View more database links
Registry Number Type Source
473921-12-9 CAS Registry Number ChemIDplus