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CHEBI:83353 - eliglustat tartrate

ChEBI IDCHEBI:83353
ChEBI Nameeliglustat tartrate
Stars
DefinitionA tartrate that is the hemitartrate salt of eliglustat. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease.
Last Modified20 October 2014
SubmitterSteve
DownloadsMolfile
Formula2C23H36N2O4.C4H6O6
Net Charge0
Average Mass959.188
Monoisotopic Mass958.55145
SMILESCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/2C23H36N2O4.C4H6O6/c2*1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h2*10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t2*19-,23-;1-,2-/m111/s1
InChIKeyKUBARPMUNHKBIQ-VTHUDJRQSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the activity of ceramide glucosyltransferase (EC 2.4.1.80).
ChEBI Ontology
Outgoing Relation(s)
eliglustat tartrate (CHEBI:83353) has part eliglustat(1+) (CHEBI:83355)
eliglustat tartrate (CHEBI:83353) has role EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor (CHEBI:50382)
eliglustat tartrate (CHEBI:83353) is a tartrate salt (CHEBI:50562)
IUPAC Names 
bis{N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide} (2R,3R)-2,3-dihydroxysuccinic acid
bis{1-[(2R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-(octanoylamino)propyl]pyrrolidinium} (2R,3R)-2,3-dihydroxysuccinate
Synonyms  Source
eliglustat hemitartrateChEBI
Genz-112638ChemIDplus
eliglustat L-tartrateChEBI
Brand Name  Source
CerdelgaChemIDplus
Manual XrefsDatabases
D09894KEGG DRUG
EliglustatWikipedia
Registry NumbersSources
Reaxys:21475296Reaxys
CAS:928659-70-5KEGG DRUG
CAS:928659-70-5ChemIDplus
Citations