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Substance Name: Mercumatilin sodium [INN]
RN: 8018-15-3
UNII: 2F2Y83SYO6
InChIKey: KLJDKONKMMIPDT-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-Hg-O6.C7-H8-N4-O2.Na

Molecular Weight

  • 680.997
 
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Names and Synonyms

Results Name

  • Mercumatilin sodium [INN]

Name of Substance

  • Mercumatilin sodium [INN]

Synonyms

  • 8-(gamma-Hydroxymercuri-beta-methoxypropyl)-3-coumarincarboxylic acid theophylline sodium
  • Cumertilin sodium
  • Mercumallylic acid, theophylline sodium
  • Mercumatilin
  • Mercumatilin sodium
  • Mercumatilina sodica
  • Mercumatilina sodica [INN-Spanish]
  • Mercumatiline sodique
  • Mercumatiline sodique [INN-French]
  • Mercumatilinum natricum
  • Mercumatilinum natricum [INN-Latin]
  • UNII-2F2Y83SYO6

Systematic Name

  • 2H-1-Benzopyran-3-carboxylic acid, 8-(3-(hydroxymercuri)-2-methoxypropyl)-2-oxo-, sodium salt, compd. with theophylline (1:1)

Registry Numbers

CAS Registry Number

  • 8018-15-3

FDA UNII

  • 2F2Y83SYO6

System Generated Number

  • 0008018153

Molecular Formulas

Molecular Formula

  • C14-H13-Hg-O6.C7-H8-N4-O2.Na

Molecular Formula Fragments

  • C14-H13-Hg-O6
  • C7-H8-N4-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H13O5.C7H8N4O2.Hg.Na.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;;1H2/q;;2*+1;/p-2

InChIKey

KLJDKONKMMIPDT-UHFFFAOYSA-L

Smiles

c12c(cc(C(=O)[O-])c(o2)=O)cccc1C[C@@H](C[Hg]O)OC.c12c(n(c(=O)n(c1=O)C)C)nc[nH]2.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 139mg/kg (139mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
mouse LD50 subcutaneous 282mg/kg (282mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rabbit LD50 intramuscular 44mg/kg (44mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rabbit LD50 intravenous 25mg/kg (25mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rat LD50 intramuscular 42mg/kg (42mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rat LD50 intravenous 33mg/kg (33mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rat LD50 oral 809mg/kg (809mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.