Home Halogens Propanoic acid, 3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]-, sodium salt, (E)- (9CI)

Propanoic acid, 3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]-, sodium salt, (E)- (9CI)

CAS No.:
115103-85-0
Catalog Number:
AG000GAW
Molecular Formula:
C26H26ClN2NaO3S2
Molecular Weight:
537.0690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
≥95%
1 week
United States
$126
- +
10mg
≥95%
1 week
United States
$179
- +
25mg
99%
1 week
United States
$357
- +
50mg
≥95%
1 week
United States
$578
- +
Product Description
Catalog Number:
AG000GAW
Chemical Name:
Propanoic acid, 3-[[[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]-, sodium salt, (E)- (9CI)
CAS Number:
115103-85-0
Molecular Formula:
C26H26ClN2NaO3S2
Molecular Weight:
537.0690
MDL Number:
MFCD00878420
IUPAC Name:
sodium;3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate
InChI:
InChI=1S/C26H27ClN2O3S2.Na/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22;/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32);/q;+1/p-1/b10-6+;
InChI Key:
XNAYQOBPAXEYLI-AAGWESIMSA-M
SMILES:
[O-]C(=O)CCSC(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C.[Na+]
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
536.097g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.065g/mol
Monoisotopic Mass:
536.097g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
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Properties