Analyte Name

Indomethacin (4-Chlorobrnzoyl-D4) I-Methyl Ester

Molecular Formula

C29 D4 H30 Cl N O4

Molecular Weight

500.062

Accurate Mass

499.243

SMILES

[2H]c1c([2H])c(C(=O)n2c(C)c(CC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c4cc(OC)ccc24)c([2H])c([2H])c1Cl

InChI

InChI=1S/C29H34ClNO4/c1-17(2)23-12-6-18(3)14-27(23)35-28(32)16-24-19(4)31(26-13-11-22(34-5)15-25(24)26)29(33)20-7-9-21(30)10-8-20/h7-11,13,15,17-18,23,27H,6,12,14,16H2,1-5H3/t18-,23+,27-/m1/s1/i7D,8D,9D,10D

IUPAC

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Unlabelled CAS Number

193603-94-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat