sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate



Compound number:
MolPort-002-885-842
CAS number: 151767-02-1
IUPAC:
sodium 2-[1-({[(1R)-1-{3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetate
IUPAC traditional:
singulair
SMILES:
[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r,@@:2,16|
InChI key:
LBFBRXGCXUHRJY-HKHDRNBDSA-M
Molecular formula:
C35H35ClNNaO3S
Molecular weight: 608.17
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-002-885-842
CAS number: 151767-02-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003831151
MFCD00931431
1-[[[(1R)-1-[3-(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]-methyl]-cyclopropaneacetic acid, monosodium salt
MK0476
montelukast
Montelukast sodium
Montelukast (sodium salt)
Montelukast Sodium Salt
Sodium 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
sodium montelukast(1-)
Sodium (R,E)-2-(1-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetate

InChI
InChI: 1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1
InChI key: LBFBRXGCXUHRJY-HKHDRNBDSA-M

Calculated Properties
Molecular formula: C35H35ClNNaO3S
Molecular weight: 608.17

Other

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