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Substance Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-, monopotassium salt
RN: 122485-09-0
InChIKey: IXTCYGXDPAUDIW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-O4.K

Molecular Weight

  • 332.478
 
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Names and Synonyms

Synonyms

  • 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone potassium
  • 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione monopotassium salt
  • Embelin potassium
  • Potassium embelate
  • RTECS HF5082000

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-, monopotassium salt

Registry Numbers

CAS Registry Number

  • 122485-09-0

System Generated Number

  • 0122485090

Molecular Formulas

Molecular Formula

  • C17-H25-O4.K

Molecular Formula Fragments

  • C17-H25-O4
  • COMPONENT
  • K

Structure Descriptors

InChI

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

InChIKey

IXTCYGXDPAUDIW-UHFFFAOYSA-M

Smiles

[K+].C1(C(=C(C(C(=C1)[O-])=O)CCCCCCCCCCC)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Indian Journal of Experimental Biology. Vol. 28, Pg. 213, 1990.