Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00224)
Name
Eliglustat
Synonyms    Click to Show/Hide the Synonyms of This API
ELIGLUSTAT; 491833-29-5; Genz 99067; Genz-99067; GENZ-112638; UNII-DR40J4WA67; Eliglustat free base; N-((1R,2R)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl)octanamide; DR40J4WA67; CHEBI:82752; 491833-29-5 (free base); MFCD19443735; N-[(1r,2r)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide; Eliglustat [USAN:INN]; Eliglustat (USAN/INN); Eliglustat(Genz-99067); Eliglustat; Genz 99067; SCHEMBL421755; GTPL7536; CHEMBL2110588; DTXSID20964175; EX-A2301; ZINC72267023; AKOS022185521; CA10006; CCG-101413; CS-5424; DB09039; SB16831; NCGC00509905-01; BS-17368; HY-14885; 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)-; A12386; D09893; Q21011224; 1000191-50-3; N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(1-pyrrolidinyl)-2-propanyl]octanamide; 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-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]octanimidic acid
Clinical Status
Approved
Disease Indication Gaucher disease ICD-11: 5C56 [1]
PubChem CID
23652731
Formula
C23H36N2O4
Canonical SMILES
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=23652731"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 404.5 Topological Polar Surface Area 71
XlogP 3.7 Complexity 484
Heavy Atom Count 29 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Eliglustat 84 mg capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose monohydrate; Fd&c blue no. 2; Glyceryl dibehenate; Ferric oxide yellow; Titanium dioxide; Cellulose, microcrystalline; Hypromelloses; Mica
                   Dosage Form Oral Capsule
                   Company Genzyme Corporation
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
          Eliglustat Tartrate eq 84mg base capsule Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Microcrystalline Cellulose; Lactose Monohydrate; Hypromellose; Glyceryl Behenate; Gelatin; Candurin Silver Fine; Yellow Iron Oxide; Fd&C Blue 2
                   Dosage Form Capsule
                   Company Genzyme Corp
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Gelatin DIG Info Mephenytoin 4-hydroxylase (EC50 = 20.5 uM) [3]
Hypromellose DIG Info Cytochrome P450 3A5 (IC50 = 19.4 uM) [3]
References
1 FDA label for approved eliglustat from the official website of the U.S. Food and Drug Administration.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
3 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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