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21312-10-7

21312-10-7 structure
21312-10-7 structure

Name N-acetylsulfamethoxazole
Synonyms Sulfamethoxazole impurity A
N-Acetyl Sulfamethoxazole
N4-Acetylsulfamethoxazole
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
N-{4-{[(5-Methyl-3-isoxazolyl)amino]sulfonyl}phenyl}acetamide Sulfisomezole-N4-acetate
Sulfamethoxazole EP Impurity A
Description N4-Acetylsulfamethoxazole (Acetylsulfamethoxazole) is a metabolite of Sulfamethoxazole (HY-B0322). Sulfamethoxazole is a sulfonamide bacteriostatic antibiotic, used for bacterial infections[1].
Related Catalog
References

[1]. https://pubchem.ncbi.nlm.nih.gov/compound/Acetylsulfamethoxazole

Density 1.448g/cm3
Melting Point 222ºC dec.
Molecular Formula C12H13N3O4S
Molecular Weight 295.31400
Exact Mass 295.06300
PSA 109.68000
LogP 2.96900
Index of Refraction 1.622
Storage condition Refrigerator

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AE4935000
CHEMICAL NAME :
Acetanilide, 4'-((5-methyl-3-isoxazolyl)sulfamoyl)-
CAS REGISTRY NUMBER :
21312-10-7
BEILSTEIN REFERENCE NO. :
0285801
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C12-H13-N3-O4-S
MOLECULAR WEIGHT :
295.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2690 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3471 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,27,1990
RIDADR NONH for all modes of transport
HS Code 2935009090

~80%

21312-10-7 structure

21312-10-7

Literature: Brimacombe, Kyle R.; Walsh, Martin J.; Liu, Li; Vasquez-Valdivieso, Montserrat G.; Morgan, Hugh P.; McNae, Iain; Fothergill-Gilmore, Linda A.; Michels, Paul A. M.; Auld, Douglas S.; Simeonov, Anton; Walkinshaw, Malcolm D.; Shen, Min; Boxer, Matthew B. ACS Medicinal Chemistry Letters, 2014 , vol. 5, # 1 p. 12 - 17

~71%

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Literature: Wang, Gong-Bao; Wang, Lin-Fa; Li, Chao-Zhang; Sun, Jing; Zhou, Guang-Ming; Yang, Da-Cheng Research on Chemical Intermediates, 2012 , vol. 38, # 1 p. 77 - 89

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 10, p. 572 - 575

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Literature: Chemosphere, , vol. 57, # 11 p. 1733 - 1738

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Literature: Journal of Pharmacology and Experimental Therapeutics, , vol. 274, # 3 p. 1099 - 1104

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 10, p. 572 - 575

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21312-10-7

Literature: Chemical and Pharmaceutical Bulletin, , vol. 10, p. 572 - 575

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21312-10-7 structure

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 10, p. 572 - 575
HS Code 2935009090
Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%