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Substance Name: Cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt
RN: 158631-53-9
InChIKey: OMQOSAQYIWUJKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-Cl-N2-O3

Molecular Weight

  • 238.6293
 
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Names and Synonyms

Synonym

  • 2-(Carboxymethyl)-6-chloro-4-hydroxycinnolinium inner salt

Systematic Name

  • Cinnolinium, 2-(carboxymethyl)-6-chloro-4-hydroxy-, inner salt

Registry Numbers

CAS Registry Number

  • 158631-53-9

System Generated Number

  • 0158631539

Structure Descriptors

InChI

1S/C10H7ClN2O3/c11-6-1-2-8-7(3-6)9(14)4-13(12-8)5-10(15)16/h1-4H,5H2,(H-,12,14,15,16)

InChIKey

OMQOSAQYIWUJKE-UHFFFAOYSA-N

Smiles

c1cc2c(cc1Cl)c(c[n+](n2)CC(=O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmazie. Vol. 49, Pg. 406, 1994.
mammal (species unspecified) LD50 oral > 2gm/kg (2000mg/kg)   Pharmazie. Vol. 49, Pg. 406, 1994.