Montelukast Sodium
sodium 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Molecular Identity
Montelukast Sodium
sodium 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
PubChem CID: 23663996
Montelukast sodium is an organic sodium salt. It contains a montelukast(1-).
2D Structure
Properties
C35H35ClNNaO3S
Molecular Formula
608.20
Molecular Weight
g/mol
607.1924
Exact Mass
Da
98.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
897
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]Isomeric SMILES
SMILES: CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]Synonyms(20)
MONTELUKAST SODIUM151767-02-1MontairDTXSID8046450MK-476Montelukast (as sodium)Montelukast monosodium saltU1O3J18SFLMK 476NSC-759107CHEBI:6993DTXCID6026450Sodium 1-((((R)-m-((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetateCyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, monosodium saltRefChem:6041
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Montelukast Sodium
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