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CHEBI:91188 - GS4012

ChEBI IDCHEBI:91188
ChEBI NameGS4012
Stars
DefinitionA hydrochloride obtained by combining the free base of GS4012 with one molar equivalent of hydrochloric acid.
Last Modified15 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H15NOS.HCl
Net Charge0
Average Mass281.808
Monoisotopic Mass281.06411
SMILESCOc1ccc(SCCc2ccncc2)cc1.Cl
InChIInChI=1S/C14H15NOS.ClH/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12;/h2-7,9-10H,8,11H2,1H3;1H
InChIKeyCYZALCLQLHDAEC-UHFFFAOYSA-N
Roles Classification
Biological Role:
VEGF activator  Any activator of vascular endothelial growth factor (VEGF).
ChEBI Ontology
Outgoing Relation(s)
GS4012 (CHEBI:91188) has part GS4012 free base(1+) (CHEBI:91191)
GS4012 (CHEBI:91188) has role VEGF activator (CHEBI:91189)
GS4012 (CHEBI:91188) is a hydrochloride (CHEBI:36807)
GS4012 (CHEBI:91188) is a pyridinium salt (CHEBI:38188)
IUPAC Names 
4-{2-[(4-methoxyphenyl)sulfanyl]ethyl}pyridine hydrochloride
4-{2-[(4-methoxyphenyl)sulfanyl]ethyl}pyridin-1-ium chloride
Synonyms  Source
GS-4012ChEBI
GS 4012ChEBI
Registry NumbersSources
Reaxys:11337303Reaxys