Chemical Compound

MONTELUKAST SODIUM

CAS Registry Number151767-02-1

Primary record

CAS: 151767-02-1
PubChem CID: 9916882
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]
Molecular Formula: C35H36ClNNaO3S
Molecular Weight: 609.187
Exact Mass: 608.2002
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);/b15-10+;/t32-;/m1./s1
InChIKey: ZMFQNQCXWQXCFO-HKHDRNBDSA-N
LogP: 8.5672
TPSA: 70.42

Names and synonyms

MONTELUKAST SODIUM
Montelukast sodium hydrate
AKOS037643272
CID9916882
CID 9916882
767M021
151767-02-1
Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, sodium salt (1:1)