Aprepitant-m3 metabolite

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Catalog Number

ACM419574042

Product Name

Structure

CAS

419574-04-2

Category

Heterocyclic Organic Compound

Synonyms

Aprepitant-M3 Metabolite;

IUPAC Name

(5S,6R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)morpholin-3-one

Molecular Weight

451.33

Molecular Formula

C₂₀H₁₆F₇NO₃

Canonical SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NC(=O)CO2)C3=CC=C(C=C3)F

InChI Key

UISOBKKSNVFVOF-KTTLUUMZSA-N

Appearance

Off-White Low Melting Solid

Exact Mass

451.10200

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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