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Substance Name: 3-Cinnolinecarboxylic acid, 4-amino-7-chloro-, hydrate
RN: 161373-47-3
InChIKey: BADWGFOQGQMHJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H6-Cl-N3-O2.H2-O

Molecular Weight

  • 223.6184
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 161373-47-3

System Generated Number

  • 0161373473

Molecular Formulas

Molecular Formula

  • C9-H6-Cl-N3-O2.H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C9H6ClN3O2/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

BADWGFOQGQMHJZ-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)nnc(c2N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 25mg/kg (25mg/kg)   Pharmazie. Vol. 49, Pg. 884, 1994.
mammal (species unspecified) LD50 oral 60mg/kg (60mg/kg)   Pharmazie. Vol. 49, Pg. 884, 1994.