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孟鲁司特钠杂质
Dihydro Montelukast Sodium Salt
二氢孟鲁司特钠盐, CYC127, Dihydro Montelukast Sodium Salt, Montelukast Impurity 16
CAS号: 142147-98-6
IUPAC名称: sodium 2-[1-[[(1R)-1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
分子式: C35H37ClNNaO3S
分子量: 610.18100
InChI: InChI=1S/C35H38ClNO3S.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;/h3-9,11-12,14,16,20-21,32,40H,10,13,15,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/t32-;/m1./s1
InChIKey: IWPOHLXIZJIMST-RYWNGCACSA-M
SMILES: CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)CCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]
EINECS: -
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