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Substance Name: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
RN: 1136-45-4
UNII: ZL8HD4RP5B
InChIKey: PENHKTNQUJMHIR-UHFFFAOYSA-N

Note

  • Has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities.

Molecular Formula

  • C11-H9-N-O3

Molecular Weight

  • 203.196
 
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Names and Synonyms

Name of Substance

  • 5-Methyl-3-phenylisoxazole-4-carboxylic acid

Synonyms

  • 3-Phenyl-5-methylisoxazol-4-carbonsaeure
  • 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German]
  • 3-Phenyl-5-methylisoxazol-4-carbonsaeure [German]
  • 3-Phenyl-5-methylisoxazole-4-carboxylic acid
  • 4-27-00-04087 (Beilstein Handbook Reference)
  • 5-Methyl-3-phenylisoxazole-4-carboxylic acid
  • BRN 0164939
  • EINECS 214-497-9
  • Isoxazole-4-carboxylic acid, 5-methyl-3-phenyl-
  • NSC 76870
  • UNII-ZL8HD4RP5B

Systematic Names

  • 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
  • 5-Methyl-3-phenylisoxazole-4-carboxylic acid

Registry Numbers

CAS Registry Number

  • 1136-45-4

FDA UNII

  • ZL8HD4RP5B

System Generated Number

  • 0001136454

Structure Descriptors

InChI

1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)

InChIKey

PENHKTNQUJMHIR-UHFFFAOYSA-N

Smiles

c1(c(c(C)on1)C(O)=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 322, 1965.
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 781, 1962.