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Substance Name: Mercury, bis(1,3,7-trimethyl-8-xanthinyl)-
RN: 6937-66-2
InChIKey: WEVBMEJITOWWPX-UHFFFAOYSA-N

Classification Code

  • Organometallic

Molecular Formula

  • C16-H18-Hg-N8-O4

Molecular Weight

  • 586.96
 
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Names and Synonyms

Synonyms

  • 2-26-00-00350 (Beilstein Handbook Reference)
  • Bis(1,3,7-trimethyl-8-xanthinyl)mercury
  • BRN 0376910
  • Mercuric-8,8-dicaffeine
  • Mercury, bis(1,3,7-trimethyl-8-xanthinyl)-
  • NSC 39260

Systematic Names

  • Mercury, bis(1,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)- (8CI)
  • Mercury, bis(1,3,7-trimethyl-8-xanthinyl)-

Registry Numbers

CAS Registry Number

  • 6937-66-2

System Generated Number

  • 0006937662

Structure Descriptors

InChI

1S/2C8H9N4O2.Hg/c2*1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h2*1-3H3;

InChIKey

WEVBMEJITOWWPX-UHFFFAOYSA-N

Smiles

n1(C)c(n(c2nc([Hg]c3n(c4c(n3)n(c(n(c4=O)C)=O)C)C)n(C)c2c1=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04388,