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Structure

Montelukast dicarboxylic acid(mixture of diastereomers)

CAS
213380-27-9
Catalog Number
ACM213380279
Category
Other Products
Molecular Weight
616.17
Molecular Formula
C35H34ClNO5S

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Specification

Synonyms
2-[(3R)-3-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]propyl]-α-hydroxy-α-methylbenzeneacetic Acid;
IUPAC Name
2-[2-[(3R)-3-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-hydroxypropanoic acid
Canonical SMILES
CC(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)(C(=O)O)O
InChI Key
FJSYYPGNUBZDIM-VZLZVWCJSA-N
H-Bond Acceptor
7
H-Bond Donor
3
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