Eliglustat Tartrate
bis(N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide);(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular Identity
Eliglustat Tartrate
bis(N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide);(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID: 52918379
Eliglustat tartrate is a tartrate that is the hemitartrate salt of eliglustat. 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 contains an eliglustat(1+).
2D Structure
Properties
C50H78N4O14
Molecular Formula
959.20
Molecular Weight
g/mol
958.5515
Exact Mass
Da
257
TPSA
May have limited oral absorption
8
H-Bond Donors
16
H-Bond Acceptors
617
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.C(C(C(=O)O)O)(C(=O)O)OIsomeric SMILES
SMILES: CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)OSynonyms(20)
Eliglustat tartrate928659-70-5eliglustat hemitartrateGENZ-112638Genz 112638N0493335P3CHEBI:83353DTXSID50239166CERDELGA COMPONENT ELIGLUSTAT TARTRATERefChem:56881DTXCID70161657Bis(N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(pyrrolidin-1-ylmethyl)ethyl)octanamide) (2R,3R)-2,3-dihydroxybutanedioateCerdelgaEliglustat (hemitartrate)104138-64-9
Data from PubChem (NCBI)
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