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CHEBI:82752 - eliglustat
| Formula | C23H36N2O4 |
| Net Charge | 0 |
| Average Mass | 404.551 |
| Monoisotopic Mass | 404.26751 |
| SMILES | CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1 |
| InChIKey | FJZZPCZKBUKGGU-AUSIDOKSSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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 (CHEBI:82752) has role EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor (CHEBI:50382) |
| eliglustat (CHEBI:82752) is a N-alkylpyrrolidine (CHEBI:46775) |
| eliglustat (CHEBI:82752) is a benzodioxine (CHEBI:64096) |
| eliglustat (CHEBI:82752) is a carboxamide (CHEBI:37622) |
| eliglustat (CHEBI:82752) is a secondary alcohol (CHEBI:35681) |
| eliglustat (CHEBI:82752) is conjugate base of eliglustat(1+) (CHEBI:83355) |
| Incoming Relation(s) |
| eliglustat(1+) (CHEBI:83355) is conjugate acid of eliglustat (CHEBI:82752) |
| IUPAC Name |
|---|
| N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide |
| INN | Source |
|---|---|
| eliglustat | KEGG DRUG |
| Synonyms | Source |
|---|---|
| Genz 99067 | ChemIDplus |
| Genz-99067 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D09893 | KEGG DRUG |
| Eliglustat | Wikipedia |
| 4834 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21475293 | Reaxys |
| CAS:491833-29-5 | KEGG DRUG |
| CAS:491833-29-5 | ChemIDplus |
| Citations |
|---|