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Substance Name: 3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate
RN: 161373-44-0
InChIKey: BEWFSFYJMYHJPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-F-N3-O2.H2-O

Molecular Weight

  • 207.1634
 
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Names and Synonyms

Synonym

  • 4-Amino-7-fluoro-3-cinnolinecarboxylic acid hydrate

Systematic Name

  • 3-Cinnolinecarboxylic acid, 4-amino-7-fluoro-, hydrate

Registry Numbers

CAS Registry Number

  • 161373-44-0

System Generated Number

  • 0161373440

Molecular Formulas

Molecular Formula

  • C9-H6-F-N3-O2.H2-O

Molecular Formula Fragments

  • C9-H6-F-N3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C9H6FN3O2/c10-4-1-2-5-6(3-4)12-13-8(7(5)11)9(14)15/h1-3H,(H2,11,12)(H,14,15)

InChIKey

BEWFSFYJMYHJPE-UHFFFAOYSA-N

Smiles

c1cc2c(cc1F)nnc(c2N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 20mg/kg (20mg/kg)   Pharmazie. Vol. 49, Pg. 884, 1994.
mammal (species unspecified) LD50 oral 200mg/kg (200mg/kg)   Pharmazie. Vol. 49, Pg. 884, 1994.