N4-Acetylsulfamethoxazole, min.99% (HPLC)

Name: N4-Acetylsulfamethoxazole
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

21312-10-7

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IUPAC name	N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
inchi	InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
inchi key	GXPIUNZCALHVBA-UHFFFAOYSA-N
molecular formula	C12H13N3O4S
synonyms	21312-10-7 Acetylsulfamethoxazole N4-Acetylsulfamethoxazole N-Acetyl sulfamethoxazole N-(4-(N-(5-Methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide
Compound Description	N-acetylsulfamethoxazole is a sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of isoxazoles and a sulfonamide. It is functionally related to a sulfamethoxazole and a sulfanilamide.

Computed Properties

Molecular Weight:	295.32 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	4
Exact Mass:	295.06267708 g/mol
Monoisotopic Mass:	295.06267708 g/mol
Topological Polar Surface Area:	110 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	440
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:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Muta. 2 (100%)
precautionary statement codes	P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

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Product No: DT7918

N4-Acetylsulfamethoxazole, min.99% (HPLC)

Product No: DT7918

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SAFETY AND HAZARDS

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