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N4-Acetylsulfamethazine

N4-Acetylsulfamethazine structure

CAS No:
100-90-3
Formula:
C14H16N4O3S
Chemical Name:
N4-Acetylsulfamethazine
Synonyms:
Acetamide,N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-;Acetanilide,4′-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]-;Acetanilide,p-(4,6-dimethyl-2-pyrimidylsulfamyl)-;N-[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]acetamide;N4-Acetylsulfamethazine;4′-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]acetanilide;N4-Acetylsulfadimidine;Acetylsulfamethazine;N-Acetylsulfamethazine;Acetylsulfadimidine;N4-Acetylsulmet;Sulfamethazine-N4-acetyl;112170-68-0
Categories:
Organic Chemistry > Amides

Description

Off-White SolidChEBI: A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine.

N(4)-acetylsulfamethazine is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of pyrimidines.

N4-Acetylsulfamethazine Basic Attributes

Molecular Weight：

320.367

Exact Mass：

320.37

DSSTox ID：

DTXSID50142848

ATC Code：

J01EB03

HScode：

2935009090

Characteristics

PSA：

109

XLogP3：

3.07940

Density：

1.3086 (rough estimate)

Melting Point：

240-241.5 °C

Refractive Index：

1.6270 (estimate)

Storage Conditions：

Refrigerator

Drug Information

Drug Transformations：

N4-Acetylsulfamethazine has known transformation products that include Sulfamethazine.

MeSH Entry Terms：

N(4)-acetylsulfamethazine

N4-Acetylsulfamethazine Use and Manufacturing

Uses

The main metabolite of Sulfamethazine

Use Classification：

Pharmaceuticals -> Transformation products

Computed Properties

Molecular Weight:320.37
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:320.09431156
Monoisotopic Mass:320.09431156
Topological Polar Surface Area:109
Heavy Atom Count:22
Complexity:473
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes