Analyte Name

Loxoprofen methyl-d3 /-methyl ester

Molecular Formula

C25 D3 H33 O3

Molecular Weight

387.57

Accurate Mass

387.285

SMILES

[2H]C([2H])([2H])C(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c2ccc(CC3CCCC3=O)cc2

InChI

InChI=1S/C25H36O3/c1-16(2)22-13-8-17(3)14-24(22)28-25(27)18(4)20-11-9-19(10-12-20)15-21-6-5-7-23(21)26/h9-12,16-18,21-22,24H,5-8,13-15H2,1-4H3/t17-,18?,21?,22+,24-/m1/s1/i4D3

IUPAC

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,3,3-trideuterio-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate

Unlabelled CAS Number

1091621-63-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat