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Substance Name: 1,4-Naphthoquinone, 2-hydroxy-3-(2-methyloctyl)-
RN: 3568-91-0
InChIKey: YNBCGOASIORCRW-UHFFFAOYSA-N

Molecular Formula

  • C19-H24-O3

Molecular Weight

  • 300.396
 
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Names and Synonyms

Synonyms

  • 1,4-Naphthalenedione, 2-hydroxy-3-(2-methyloctyl)-
  • 2-Hydroxy-3-(2-methyloctyl)-1,4-naphthoquinone
  • 3-08-00-02613 (Beilstein Handbook Reference)
  • BRN 3311386
  • SN 5949

Systematic Name

  • 1,4-Naphthoquinone, 2-hydroxy-3-(2-methyloctyl)-

Registry Numbers

CAS Registry Number

  • 3568-91-0

System Generated Number

  • 0003568910

Structure Descriptors

InChI

1S/C19H24O3/c1-3-4-5-6-9-13(2)12-16-17(20)14-10-7-8-11-15(14)18(21)19(16)22/h7-8,10-11,13,22H,3-6,9,12H2,1-2H3

InChIKey

YNBCGOASIORCRW-UHFFFAOYSA-N

Smiles

c12c(C(C(O)=C(C1=O)C[C@@H](CCCCCC)C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 100mg/kg (100mg/kg)   "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946Vol. 1, Pg. 267, 1946.
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946Vol. 1, Pg. 267, 1946.