Product Code
TRC-M568015
CAS Number
Product Format
Neat
Molecular Formula
C35 H36 Cl N O4 S
Molecular Weight
602.18
Product Categories
TRC, Respiratory drugs, Respiratory drugs, Impurity Reference Materials , Respiratory drugs, Additional Covid-19 Research materials
Product Type
MetaboliteLogin or create an account to view prices and place your order.
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Analyte Name
Montelukast 1,2-Diol(Mixture of Diastereomers)
CAS Number
186352-97-6
Molecular Formula
C35 H36 Cl N O4 S
Molecular Weight
602.18
Accurate Mass
601.2054
SMILES
CC(O)C(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
InChI
InChI=1S/C35H36ClNO4S/c1-23(38)34(41)30-8-3-2-6-25(30)12-16-32(42-22-35(17-18-35)21-33(39)40)27-7-4-5-24(19-27)9-14-29-15-11-26-10-13-28(36)20-31(26)37-29/h2-11,13-15,19-20,23,32,34,38,41H,12,16-18,21-22H2,1H3,(H,39,40)/b14-9+/t23?,32-,34?/m1/s1
IUPAC
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,2-dihydroxypropyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
The methyl-hydroxylated 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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