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Substance Name: NSC 114439
RN: 16926-70-8
UNII: 9K28F5423W
InChIKey: JBMWOJWZSMCBJJ-QZQOTICOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N4-O3

Molecular Weight

  • 350.376
 
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Names and Synonyms

Results Name

  • NSC 114439

Name of Substance

  • Ethyl 4-((3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl)benzoate

Synonyms

  • BRN 0898877
  • EINECS 240-992-4
  • NSC 114439
  • p-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acid ethyl ester
  • UNII-9K28F5423W

Systematic Names

  • Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, ethyl ester
  • Benzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-, ethyl ester
  • Benzoic acid, p-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)-, ethyl ester
  • Ethyl 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoate

Registry Numbers

CAS Registry Number

  • 16926-70-8

FDA UNII

  • 9K28F5423W

Other Registry Numbers

  • 1159802-25-1
  • 402730-77-2

System Generated Number

  • 0016926708

Structure Descriptors

InChI

1S/C19H18N4O3/c1-3-26-19(25)14-9-11-15(12-10-14)20-21-17-13(2)22-23(18(17)24)16-7-5-4-6-8-16/h4-12,17H,3H2,1-2H3/b21-20+

InChIKey

JBMWOJWZSMCBJJ-QZQOTICOSA-N

Smiles

N1(c2ccccc2)C([C@@H](\N=N\c2ccc(C(OCC)=O)cc2)C(=N1)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1gm/kg (1000mg/kg)   Journal of Drug Research. Vol. 7(3), Pg. 1, 1975.