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Substance Name: (Acetato)(8-theophyllinyl)mercury
RN: 6336-12-5
InChIKey: WMZHBFXXMHFCRO-UHFFFAOYSA-L

Classification Code

  • Organometallic

Molecular Formula

  • C9-H10-Hg-N4-O4

Molecular Weight

  • 438.792
 
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Names and Synonyms

Results Name

  • (Acetato)(8-theophyllinyl)mercury

Synonyms

  • (Acetato)(8-theophyllinyl)mercury
  • 8-Theophylline mercuric acetate
  • NSC 39258
  • Theophylline, 8-(acetoxymercurio)-

Systematic Name

  • Mercury, (acetato)(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)-

Registry Numbers

CAS Registry Number

  • 6336-12-5

System Generated Number

  • 0006336125

Structure Descriptors

InChI

1S/C7H8N4O2.C2H4O2.Hg/c1-10-5-6(11(2)7(10)13)9-4(12)3-8-5;1-2(3)4;/h3H,1-2H3,(H,9,12);1H3,(H,3,4);/q;;+2/p-2

InChIKey

WMZHBFXXMHFCRO-UHFFFAOYSA-L

Smiles

c12c(n(C)c(n2C)=O)ncc(n1[Hg]OC(C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04387,