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Substance Name: Acetylsulfamethoxazole [JAN]
RN: 21312-10-7
UNII: 3I1988834Q
InChIKey: GXPIUNZCALHVBA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N3-O4-S

Molecular Weight

  • 295.318
 
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Names and Synonyms

Name of Substance

  • Acetylsulfamethoxazole [JAN]
  • N(4)-acetylsulfamethoxazole

Synonyms

  • 4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilide
  • 4-27-00-04685 (Beilstein Handbook Reference)
  • Acetamide, N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-
  • Acetylsulfamethoxazole
  • BRN 0285801
  • EINECS 244-330-5
  • N(sup 4)-Acetylsulfisomezole
  • N(sup 4)-Acetylsulfulfamethoxazole
  • Sulfisomezole-N(sup 4)-acetate
  • UNII-3I1988834Q

Systematic Names

  • Acetanilide, 4'-((5-methyl-3-isoxazolyl)sulfamoyl)-
  • N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)acetamide
  • N-(4-(((5-Methylisoxazol-3-yl)amino)sulphonyl)phenyl)acetamide

Registry Numbers

CAS Registry Number

  • 21312-10-7

FDA UNII

  • 3I1988834Q

System Generated Number

  • 0021312107

Structure Descriptors

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)

InChIKey

GXPIUNZCALHVBA-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)NC(C)=O)S(Nc1cc(C)on1)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2300mg/kg (2300mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.
mouse LD50 oral 3471mg/kg (3471mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.
rat LD50 intraperitoneal 2690mg/kg (2690mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.
rat LD50 oral 8400mg/kg (8400mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 27, 1990.