M9 Metabolite of Eliglustat

Nazwa analitu

N-[(1R,2R)-2-hydroxy-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(pyrrolidin-1-ylmethyl)ethyl]octanamide

Wzór cząsteczkowy

C23H36N2O5

Masa cząsteczkowa

420.55

Dokładna masa

420.2624

SMILES

OC1=CC([C@@H](O)[C@H](NC(CCCCCCC)=O)CN2CCCC2)=CC3=C1OCCO3

InChI

InChI=1S/C23H36N2O5/c1-2-3-4-5-6-9-21(27)24-18(16-25-10-7-8-11-25)22(28)17-14-19(26)23-20(15-17)29-12-13-30-23/h14-15,18,22,26,28H,2-13,16H2,1H3,(H,24,27)/t18-,22-/m1/s1

IUPAC

N-[(1R,2R)-2-hydroxy-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(pyrrolidin-1-ylmethyl)ethyl]octanamide

Kraj pochodzenia

CANADA

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