Sulfadimethoxine N4-Acetate - CAS 555-25-9

Catalog:	BB076672
Product Name:	Sulfadimethoxine N4-Acetate
CAS:	555-25-9
Synonyms:	N-[4-[[(2,6-Dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]acetamide;4'-[(2,6-Dimethoxy-4-pyrimidinyl)sulfamoyl]acetanilide; N4-Acetyl-2,4-dimethoxy-6-sulfanilamidopyrimidine; N4-Acetylsulfadimethoxine; N4-Acetylsulfadimethoxypyrimidine; Sulfadimethoxine EP Impurity B

Technical Data

IUPAC Name:	N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Description:	Sulfadimethoxine N4-Acetate (Sulfadimethoxine EP Impurity B) is a derivative of Sulfadimethoxine (S699060), a long-acting sulfonamide antibacterial that is frequently used in combination with Ormetoprim to prevent the spread of disease in freshwater aquaculture.
Molecular Weight:	352.37
Molecular Formula:	C14H16N4O5S
Canonical SMILES:	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC
InChI:	InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChI Key:	WIYOSEJTAADVPJ-UHFFFAOYSA-N
Melting Point:	202-205°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	4°C, Inert atmosphere
References:	Guerard, J., et al. Environ. Sci. Technol., 43, 8587 (2009); James, M., et al. Vet. Hum. Toxicol., 30, 36 (1987).

Complexity:	516
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	352.0841408
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	352.0841408
Rotatable Bond Count:	6
Topological Polar Surface Area:	128Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5