Analyte Name

Lemborexant M4

CAS Number

1369765-94-5

Molecular Formula

C22H20F2N4O3

Molecular Weight

426.42

Accurate Mass

426.15

SMILES

O=C([C@H]1[C@@](C2=CC=CC(F)=C2)(COC3=CN(=C(C)N=C3C)=O)C1)NC4=NC=C(F)C=C4

InChI

InChI=1S/C22H20F2N4O3/c1-13-19(11-28(30)14(2)26-13)31-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)27-20-7-6-17(24)10-25-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,25,27,29)/t18-,22+/m0/s1

IUPAC

5-(((1S,2R)-1-(3-fluorophenyl)-2-((5-fluoropyridin-2-yl)carbamoyl)cyclopropyl)methoxy)-2,4-dimethylpyrimidine 1-oxide

Country of Origin

CANADA

Product Format

Neat