Cyclopropaneacetic acid,1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, monosodium salt


Chemical Name: Cyclopropaneacetic acid,1-[[[(1S)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, monosodium salt
CAS Number: 190078-45-6
Product Number: AG002EBB(AGN-PC-0QJFSJ)
Synonyms:
MDL No:
Molecular Formula: C35H35ClNNaO3S
Molecular Weight: 608.1651

Identification/Properties


Properties
MP:
112-115°C
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
608.169g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
12
Exact Mass:
607.192g/mol
Monoisotopic Mass:
607.192g/mol
Topological Polar Surface Area:
98.6A^2
Heavy Atom Count:
42
Formal Charge:
0
Complexity:
898
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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Chemical Structure



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