Analyte Name

5,5'-((2-(2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetoxy)propane-1,3-diyl-1,1,2,3,3-d5)bis(oxy))bis(4-oxo-4H-chromene-2-carboxylic Acid)

Molecular Formula

C44 D5 H34 Cl N2 O13

Molecular Weight

844.27

Accurate Mass

843.245

SMILES

[2H]C([2H])(Oc1cccc2OC(=CC(=O)c12)C(=O)O)C([2H])(OC(=O)COCCN3CCN(CC3)C(c4ccccc4)c5ccc(Cl)cc5)C([2H])([2H])Oc6cccc7OC(=CC(=O)c67)C(=O)O

InChI

InChI=1S/C44H39ClN2O13/c45-29-14-12-28(13-15-29)42(27-6-2-1-3-7-27)47-18-16-46(17-19-47)20-21-55-26-39(50)58-30(24-56-33-8-4-10-35-40(33)31(48)22-37(59-35)43(51)52)25-57-34-9-5-11-36-41(34)32(49)23-38(60-36)44(53)54/h1-15,22-23,30,42H,16-21,24-26H2,(H,51,52)(H,53,54)/i24D2,25D2,30D

IUPAC

5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetyl]oxy-1,1,2,3,3-pentadeuteriopropoxy]-4-oxochromene-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat