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Acetylsulfadiazine

Acetylsulfadiazine structure

CAS No:
127-74-2
Formula:
C12H12N4O3S
Chemical Name:
Acetylsulfadiazine
Synonyms:
Acetamide,N-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-;Acetanilide,4′-(2-pyrimidinylsulfamoyl)-;N-[4-[(2-Pyrimidinylamino)sulfonyl]phenyl]acetamide;N4-Acetylsulfadiazine;2-[(p-Acetamidophenyl)sulfonamido]pyrimidine;N-Acetylsulfadiazine;Acetylsulfadiazine;4′-(2-Pyrimidinylsulfamoyl)acetanilide;AC-sulfadiazine;112170-69-1
Categories:
Analytical Chemistry > Standard

Description

White SolidChEBI: A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.

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

Acetylsulfadiazine Basic Attributes

Molecular Weight：

292.31368

Exact Mass：

292.31

EC Number：

204-862-0

UNII：

5417251GZ4

DSSTox ID：

DTXSID00155362

ATC Code：

J01EC02

HScode：

2935009090

Characteristics

PSA：

109

XLogP3：

-0.2

Density：

1.3845 (rough estimate)

Melting Point：

259 °C

Refractive Index：

1.6200 (estimate)

Storage Conditions：

Refrigerator

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Drug Transformations：

N4-Acetylsulfadiazine has known transformation products that include Sulfadiazine.

MeSH Entry Terms：

N(4)-acetylsulfadiazine

Acetylsulfadiazine Use and Manufacturing

Uses

A major metabolite of Sulfadiazine

Use Classification：

Pharmaceuticals|Pharmaceuticals -> Transformation products

Computed Properties

Molecular Weight:292.32
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:292.06301143
Monoisotopic Mass:292.06301143
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:421
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes