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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride
RN: 34692-97-2
InChIKey: RDYYAVXCQKBLOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-N2-O.Cl-H

Molecular Weight

  • 172.614
 
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Names and Synonyms

Synonyms

  • 2,5-Diamino-2,4,6-cycloheptatrien-1-one hydrochloride
  • 2,5-Diaminotropone hydrochloride

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2,5-diamino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 34692-97-2

System Generated Number

  • 0034692972

Molecular Formulas

Molecular Formula

  • C7-H8-N2-O.Cl-H

Molecular Formula Fragments

  • C7-H8-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N2O.ClH/c8-5-1-3-6(9)7(10)4-2-5;/h1-4H,8H2,(H2,9,10);1H

InChIKey

RDYYAVXCQKBLOM-UHFFFAOYSA-N

Smiles

c1(c(ccc(cc1)N)[NH2+])=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 174mg/kg (174mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 1307, 1971.
mouse LD50 intravenous 192mg/kg (192mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.
mouse LD50 subcutaneous 361mg/kg (361mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 1307, 1971.