Marvin 04030810472D 42 45 0 0 0 0 999 V2000 -2.1875 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 0.1750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 0.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5283 1.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 3.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 3.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 4.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4582 4.2719 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6282 3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 2.6219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2011 2.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5893 1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 1.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1831 1.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 4.3053 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 9 4 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 8 11 2 0 0 0 0 11 6 1 0 0 0 0 6 7 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 14 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 27 1 0 0 0 0 27 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 37 22 2 0 0 0 0 22 23 1 0 0 0 0 37 26 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 29 35 1 0 0 0 0 35 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 34 36 1 0 0 0 0 37 40 1 0 0 0 0 40 38 1 0 0 0 0 40 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 2 33 -1 42 1 M END > CHEBI:6993 > montelukast sodium > 3 > Sodium 1-((((R)-m -((E)-2-(7-chloro-2-quinolyl)vinyl)-alpha-(o-(1-hydroxy-1-methylethyl)phenethyl)benzyl)thio)methyl)cyclopropaneacetate; Montelukast sodium salt; Montelukast sodium; 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 > sodium {1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetate > Singular; Singulair; Montair > C35H35ClNNaO3S > 608.16581 > 607.19239 > 0 > [Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC([O-])=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 > 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 > LBFBRXGCXUHRJY-HKHDRNBDSA-M > 7612011 > 151767-02-1 > 151767-02-1 > D00529 $$$$