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851755-56-1 | 2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast
CAS No: 851755-56-1 Catalog No: AG003G9K MDL No:
Product Description
Catalog Number:
AG003G9K
Chemical Name:
2’-Des(1-hydroxy-1-methylethyl)-2’-methycarboxy Montelukast
CAS Number:
851755-56-1
IUPAC Name:
2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid
InChI:
InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1
InChI Key:
FVMXWBDOMBDOJN-JLBZDQGGSA-N
UNII:
KUW20633YM
Properties
Complexity:
909
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
585.174g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
586.143g/mol
Monoisotopic Mass:
585.174g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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