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Substance Name: 3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-
RN: 159831-77-3
InChIKey: TVXJHWQSLDWOGS-UFWORHAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H9-Cl-F-N3-O2

Molecular Weight

  • 329.7171
 
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Names and Synonyms

Synonym

  • 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxylic acid

Systematic Name

  • 3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-

Registry Numbers

CAS Registry Number

  • 159831-77-3

System Generated Number

  • 0159831773

Structure Descriptors

InChI

1S/C16H9ClFN3O2/c17-11-7-13-10(6-12(11)18)14(15(16(22)23)21-20-13)19-8-9-4-2-1-3-5-9/h1-8H,(H,22,23)/b19-8+

InChIKey

TVXJHWQSLDWOGS-UFWORHAWSA-N

Smiles

c1ccc(cc1)/C=N/c2c3cc(c(cc3nnc2C(=O)O)Cl)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 2gm/kg (2000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 33, Pg. 1001, 1994.