API0231828
Montelukast Sodium
Monosodium phosphate is used for multiple sclerosis.
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CAS No.
151767-02-1
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Synonyms
MONTELUKAST SODIUM; Singulair; Montelukast sodium salt
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CHEMBL ID
CHEMBL1200681
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Compound CID
23663996
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Molecular Weight (g/mol)
608.2
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Molecular Formula
C35H35ClNNaO3S
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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
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InChIKey
LBFBRXGCXUHRJY-HKHDRNBDSA-M
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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+]
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IUPAC Name
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
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Exact Mass (Da)
607.1923871
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Monoisotopic Mass (Da)
607.1923871
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