loading...| Preferred Name |
eliglustat |
|
| Synonyms |
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide Genz 99067 Genz-99067 eliglustat |
|
| Definitions |
A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82752 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:20864621 PMID:24816856 PMID:24835462 Reaxys:21475293 PMID:20439622 CAS:491833-29-5 KEGG:D09893 PMID:20872320 PMID:25239269 PMID:22563139 Wikipedia:Eliglustat Drug_Central:4834 PMID:20713962 |
|
| definition |
A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol. A ceramide glucosyltransferase inhibitor used (as its tartrate salt) for treatment of Gaucher's disease. |
|
| formula |
C23H36N2O4 |
|
| has role | ||
| has_exact_synonym |
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Genz 99067 Genz-99067 eliglustat |
|
| id |
CHEBI:82752 |
|
| in_subset | ||
| 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 |
|
| is conjugate base of | ||
| label |
eliglustat |
|
| mass |
404.54290 |
|
| monoisotopicmass |
404.26751 |
|
| notation |
CHEBI:82752 |
|
| prefLabel |
eliglustat |
|
| smiles |
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35681 http://purl.obolibrary.org/obo/CHEBI_64096 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35681 http://purl.obolibrary.org/obo/CHEBI_64096 |