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Home Aminos 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-, hydrochloride (1:1)

2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-, hydrochloride (1:1)

CAS No.:
302543-62-0
Catalog Number:
AG002ZDO
Molecular Formula:
C18H20ClN3O3S
Molecular Weight:
393.8877
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Product Description
Catalog Number:
AG002ZDO
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-, hydrochloride (1:1)
CAS Number:
302543-62-0
Molecular Formula:
C18H20ClN3O3S
Molecular Weight:
393.8877
MDL Number:
MFCD04112701
IUPAC Name:
5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
InChI:
InChI=1S/C18H19N3O3S.ClH/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;/h2-9,15H,10-12H2,1H3,(H,20,22,23);1H
InChI Key:
XRSCTTPDKURIIJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C.Cl
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.091g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
393.886g/mol
Monoisotopic Mass:
393.091g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties