Product Code

TRC-D289187

Product Format

Neat

Molecular Formula

C29 D6 H20 Cl N O . C H4 O3 S

Molecular Weight

542.119

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

1187586-82-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Des(3-(((1-Carboxymethyl)cyclopropyl)methyl)thio)-2-propenyl Montelukast-d6 Mesylate

Molecular Formula

C29 D6 H20 Cl N O . C H4 O3 S

Molecular Weight

542.119

Accurate Mass

541.196

SMILES

[2H]C([2H])([2H])C(O)(c1ccccc1C\C=C\c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)C([2H])([2H])[2H].CS(=O)(=O)O

InChI

InChI=1S/C29H26ClNO.CH4O3S/c1-29(2,32)27-12-4-3-10-23(27)11-6-9-21-7-5-8-22(19-21)13-17-26-18-15-24-14-16-25(30)20-28(24)31-26;1-5(2,3)4/h3-10,12-20,32H,11H2,1-2H3;1H3,(H,2,3,4)/b9-6+,17-13+;/i1D3,2D3;

IUPAC

2-[2-[(E)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-enyl]phenyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;methanesulfonic acid

Unlabelled CAS Number

1187586-82-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Des[3-[[(1-Carboxymethyl)cyclopropyl]methyl]thio]-2-propenyl Montelukast-d6 Mesylate

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