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Substance Name: 3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((3-phenyl-2-propenylidene)amino)-
RN: 159831-78-4
InChIKey: UVECIJBGCJVYQS-WXEZRFCZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H11-Cl-F-N3-O2

Molecular Weight

  • 355.7549
 
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Names and Synonyms

Synonym

  • 7-Chloro-6-fluoro-4-((3-phenyl-2-propenylidene)amino)-3-cinnolinecarboxylic acid

Systematic Name

  • 3-Cinnolinecarboxylic acid, 7-chloro-6-fluoro-4-((3-phenyl-2-propenylidene)amino)-

Registry Numbers

CAS Registry Number

  • 159831-78-4

System Generated Number

  • 0159831784

Structure Descriptors

InChI

1S/C18H11ClFN3O2/c19-13-10-15-12(9-14(13)20)16(17(18(24)25)23-22-15)21-8-4-7-11-5-2-1-3-6-11/h1-10H,(H,24,25)/b7-4+,21-8+

InChIKey

UVECIJBGCJVYQS-WXEZRFCZSA-N

Smiles

c1ccc(cc1)/C=C/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.