Verlukast-d6

Analyte Name

Verlukast-d6

CAS Number

153698-86-3

Molecular Formula

C26 2H6 H21 Cl N2 O3 S2

Molecular Weight

521.12

Accurate Mass

520.1528

SMILES

[2H]C([2H])([2H])N(C(=O)CCSCS[C@H](CC(=O)O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1)C([2H])([2H])[2H]

InChI

InChI=1S/C26H27ClN2O3S2/c1-29(2)25(30)12-13-33-17-34-24(16-26(31)32)20-5-3-4-18(14-20)6-10-22-11-8-19-7-9-21(27)15-23(19)28-22/h3-11,14-15,24H,12-13,16-17H2,1-2H3,(H,31,32)/b10-6+/t24-/m1/s1/i1D3,2D3

IUPAC

(3R)-3-[[3-[bis(trideuteriomethyl)amino]-3-oxopropyl]sulfanylmethylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propanoic acid

Unlabelled CAS Number

120443-16-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Verlukast