Compound: ELIGLUSTAT
SMILES: O=C(N[C@@H]([C@H](O)c1cc2OCCOc2cc1)CN3CCCC3)CCCCCCC
InChIKey: FJZZPCZKBUKGGU-AUSIDOKSSA-N
Synonyms: ELIGLUSTAT, 491833-29-5, Genz-99067, Genz 99067, DR40J4WA67, N-[(1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide, CHEBI:82752, DTXSID20964175, N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanamide, N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl)octanamide, Octanamide, N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl)-, N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl)octanamide, Eliglustatum, N-((1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl)octanamide, N-((1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)octanamide, N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide, N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl]octanamide, RefChem:56880, A16AX10, DTXCID301391881, 112-538-4, N-((1R,2R)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl)octanamide, MFCD19443735, N-[(1r,2r)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide, Eliglustat free base, Eliglustat [USAN:INN], UNII-DR40J4WA67, C23H36N2O4, Octanamide, N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-; N-[(1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide; Cerdelga; Eliglustat; Genz 99067, 491833-29-5 (free base), ELIGLUSTAT [MI], ELIGLUSTAT [INN], Eliglustat (USAN/INN), ELIGLUSTAT [USAN], ELIGLUSTAT [VANDF], Eliglustat; Genz 99067, ELIGLUSTAT [WHO-DD], Eliglustat(Genz-99067)?, SCHEMBL421755, GTPL7536, orb1303942, CHEMBL2110588, SCHEMBL29701229, GLXC-90436, EX-A2301, N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1- pyrrolidinyl)-2-propanyl]octanamide;eliglustat tartrate, EBC-26968, s7852, AKOS022185521, CCG-101413, CS-5424, DB09039, NCGC00509905-01, AC-35323, BS-17368, DA-63153, FD158477, HY-14885, NS00040664, D09893, EN300-259910, F53213, BRD-K86410485-001-01-5, Q21011224, 1000191-50-3, N-((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(PYRROLIDIN-1- YLMETHYL)ETHYL)OCTANAMIDE, N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)-2-propanyl]octanamide, OCTANAMIDE, N-((1R,2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-HYDROXY-1-(1- PYRROLIDINYLMETHYL)ETHYL)-
Theoretical properties:
molecular_formula: C23H36N2O4
molecular_weight: 404.5 g/mol
exact_mass: 404.26750763 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 11
heavy_atom_count: 29
topological_polar_surface_area: 71 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Eliglustat is 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. It has a role as an EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor. It is a secondary alcohol, a carboxamide, a N-alkylpyrrolidine and a benzodioxine. It is a conjugate base of an eliglustat(1+).
chebi: A carboxamide obtained by formal condensation of the carboxy group of octanoic acid with the primary amino group of (1<i>R</i>,2<i>R</i>)-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.
chembl: ELIGLUSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Eliglustat, sold under the brand name Cerdelga, is a medication used for the treatment of Gaucher's disease. It was discovered at the University of Michigan, developed by Genzyme Corp, and was approved by the FDA in August 2014. Commonly used as the tartrate salt, the compound is believed to work by inhibition of glucosylceramide synthase. According to an article in Journal of the American Medical Association the oral substrate reduction therapy resulted in "significant improvements in spleen volume, hemoglobin level, liver volume, and platelet count" in untreated adults with Gaucher disease Type 1.