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Substance Name: Meralluride [INN:BAN:NF]
RN: 8069-64-5
UNII: 3P7B4Q5T8A
InChIKey: BDFXZRBRZBBYDN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C9-H15-Hg-N2-O6.C7-H8-N2-O2.Na
  • C9-H16-Hg-N2-O6.C7-H8-N4-O2.Na

Molecular Weight

  • 650.9717
 
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Names and Synonyms

Name of Substance

  • Meralluride
  • Meralluride [INN:BAN:NF]

Synonyms

  • Butanoic acid, 4-((((2-methoxypropyl)amino)carbonyl)amino)-4-oxo-, mercury complex
  • Meralluride
  • Meralluridum
  • Meralluridum [INN-Latin]
  • Meralurida
  • Meralurida [INN-Spanish]
  • Mercuhydrin
  • Mercuretin
  • Muralluride
  • NSC 19909
  • UNII-3P7B4Q5T8A

Systematic Names

  • Mercurate(1-), (3-((((3-carboxylato-1-oopropyl)amino)carbonyl-kappaO)amino)-2-methoxypropyl-kappaC)hydroxy-, sodium, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Mercurate(1-), (3-((((3-carboxylato-1-oxopropyl)amino)carbonyl)amino)-2-methoxypropyl)hydroxy-, sodium, mixed with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Mercury, (3-((((3-carboxy-1-oxopropyl)amino)carbonyl)amino)-2-methoxypropyl)hydroxy-, monosodium salt, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 8069-64-5

FDA UNII

  • 3P7B4Q5T8A

Other Registry Numbers

  • 8015-23-4
  • 8065-39-2

System Generated Number

  • 0008069645

Molecular Formulas

Molecular Formulas

  • C9-H15-Hg-N2-O6.C7-H8-N2-O2.Na
  • C9-H16-Hg-N2-O6.C7-H8-N4-O2.Na

Molecular Formula Fragments

  • C7-H8-N2-O2
  • C7-H8-N4-O2
  • C9-H15-Hg-N2-O6
  • C9-H16-Hg-N2-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H15N2O5.C7H8N4O2.Hg.Na.H2O/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);3H,1-2H3,(H,8,9);;;1H2/q;;2*+1;/p-2

InChIKey

BDFXZRBRZBBYDN-UHFFFAOYSA-L

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc[nH]2.COC(CNC(=O)NC(=O)CCC(=O)[O-])C[Hg+].[OH-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 256mg/kg (256mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rat LD50 intramuscular 37mg/kg (37mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rat LD50 intravenous 43mg/kg (43mg/kg)   Journal of the American Chemical Society. Vol. 73, Pg. 91, 1951.
rat LD50 subcutaneous 28mg/kg (28mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -5.840 (none)   EST
Atmospheric OH Rate Constant 1.16E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.