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Montelukast Acyl-Beta-D-glucuronide-d6

Product Code

TRC-M568012

Product Format

Neat

Molecular Formula

C41 D6 H38 Cl N O9 S

Molecular Weight

768.344

Product Categories

TRC, Additional Covid-19 Research materials, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

188717-17-1 (free base)

Price and availability

48-hour USA dispatch time
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Product Information

Chemical Data

Analyte Name

Montelukast Acyl-beta-D-glucuronide-d6

Molecular Formula

C41 D6 H38 Cl N O9 S

Molecular Weight

768.344

Accurate Mass

767.28

SMILES

[2H]C([2H])([2H])C(O)(c1ccccc1CC[C@@H](SCC2(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)CC2)c4cccc(\C=C\c5ccc6ccc(Cl)cc6n5)c4)C([2H])([2H])[2H]

InChI

InChI=1S/C41H44ClNO9S/c1-40(2,50)30-9-4-3-7-25(30)13-17-32(27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(42)21-31(26)43-29)53-23-41(18-19-41)22-33(44)51-39-36(47)34(45)35(46)37(52-39)38(48)49/h3-12,14-16,20-21,32,34-37,39,45-47,50H,13,17-19,22-23H2,1-2H3,(H,48,49)/b15-10+/t32-,34+,35+,36-,37+,39-/m1/s1/i1D3,2D3

IUPAC

(2S,3S,4S,5R,6S)-6-[2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

188717-17-1 (free base)

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

Product Description

A labelled metabolite of Montelukast.

References: Madan, A., et al.: Biochem. Pharmacol., 46, 2291 (1993), Blake, B.L., et al.: Xenobiotica, 25, 377 (1995), LaBelle, M., et al.: Bioorg. Med. Chem. Lett., 5, 283 (1995), Chiba, M., et al.: Drug Metab. Dispos., 24, 307 (1996),
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