3-Thiophenesulfonamide,N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-, sodium salt


Chemical Name: 3-Thiophenesulfonamide,N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-, sodium salt
CAS Number: 210421-74-2
Product Number: AG002KRR(AGN-PC-0QX8XI)
Synonyms:
MDL No:
Molecular Formula: C18H15ClN2NaO6S2
Molecular Weight: 477.8943

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
476.878g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
475.988g/mol
Monoisotopic Mass:
475.988g/mol
Topological Polar Surface Area:
133A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
726
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


PNMR/SITAXSENTAN_SODIUM-210421-74-2-hnmr.pdf

Other Analytical Data


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