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Substance Name: 4-Quinolineamine, 7-chloro-N-(3-hydroxypropyl)-2-(5-nitro-2-furyl-1,3-butadienyl)-, phosphate (1:2)
RN: 31432-70-9
InChIKey: KNIJVLQWWIGNJC-NFKFXXGOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-Cl-N3-O3.2H3-O4-P

Molecular Weight

  • 595.82
 
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Names and Synonyms

  • 4-Quinolineamine, 7-chloro-N-(3-hydroxypropyl)-2-(5-nitro-2-furyl-1,3-butadienyl)-, phosphate (1:2)

Registry Numbers

CAS Registry Number

  • 31432-70-9

System Generated Number

  • 0031432709

Molecular Formulas

Molecular Formula

  • C20-H18-Cl-N3-O3.2H3-O4-P

Molecular Formula Fragments

  • C20-H18-Cl-N3-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C20H18ClN3O4.2H3O4P/c21-14-6-8-17-18(22-10-3-11-25)13-15(23-19(17)12-14)4-1-2-5-16-7-9-20(28-16)24(26)27;2*1-5(2,3)4/h1-2,4-9,12-13,25H,3,10-11H2,(H,22,23);2*(H3,1,2,3,4)/b4-1+,5-2+;;

InChIKey

KNIJVLQWWIGNJC-NFKFXXGOSA-N

Smiles

C(CCNc1cc(\C=C\C=C\c2oc(cc2)[N+](=O)[O-])nc2cc(Cl)ccc12)O.P(=O)(O)(O)O.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 296, 1970.