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Substance Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-, compd. with 2-methyl-1-propanamine(1:2)
RN: 60198-38-1
InChIKey: FOLJMXLQVWGPHJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H26-O4.C8-H22-N2

Molecular Weight

  • 440.6642
 
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Names and Synonyms

Synonyms

  • 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione compd. with 2-methyl-1-propanamine (1:2)
  • 2,5-Diisobutylamino embelin

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-, compd. with 2-methyl-1-propanamine(1:2)

Registry Numbers

CAS Registry Number

  • 60198-38-1

System Generated Number

  • 0060198381

Molecular Formulas

Molecular Formula

  • C17-H26-O4.C8-H22-N2

Molecular Formula Fragments

  • C17-H26-O4
  • C8-H22-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26O4.2C4H11N/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21;2*1-4(2)3-5/h12,18,21H,2-11H2,1H3;2*4H,3,5H2,1-2H3

InChIKey

FOLJMXLQVWGPHJ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O.CC(C)CN.CC(C)CN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 62mg/kg (62mg/kg)   Indian Journal of Physiology and Pharmacology. Vol. 21, Pg. 31, 1977.