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8012-34-8

Basic Information
CAS No.: 8012-34-8
Name: MERCUROPHYLLINE
Molecular Structure:
Molecular Structure of 8012-34-8 (MERCUROPHYLLINE)
Formula: C14H24HgNO5•C7H8N4O2•Na
Molecular Weight: 690.16
Synonyms: novurit;mercuzanthin;mercuzan;merthylline;mercupurin;mixturewiththeophylline;mercurin;novurite;
Boiling Point: 442.9°C at 760 mmHg
Flash Point: 221.7°C
Safety: Poison by subcutaneous, intraperitoneal, and intravenous routes. Human systemic effects by intravenous route: cardiac arrythmias. When heated to decomposition it emits toxic fumes of Hg. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.
PSA: 95.86000
LogP: 1.82390
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Chemistry

IUPAC Name: Sodium; 1,3-dimethyl-7H-purine-2,6-dione; mercury(2+); 3-(2-methoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate; hydroxide
Synonyms of Mercurophylline (CAS NO.8012-34-8): A mixture of sodium salt of 3-(3-(hydroxymercuri)-2-methoxypropyl)camphoramic acid (C14H24HgNNaO5) and theophylline (C7H8N4O2) ; Mercupurin ; Mercurin ; Mercurofilina ; Mercurophyllinum ; Novurite ; Osmuryl ; Mercurate(1-), (3-(((3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl)amino)-2-methoxypropyl)hydroxy-, monosodium salt, mixt.with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione ; Sodium (3-(((3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl)amino)-2-methoxypropyl)hydroxymer curate(1-), mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS NO: 8012-34-8
Molecular Formula: C21H32HgN5NaO7
Molecular Weight : 690.0878
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 5
Polar Surface Area: 66.84 Å2
Flash Point: 221.7 °C
Enthalpy of Vaporization: 76.79 kJ/mol
Boiling Point: 442.9 °C at 760 mmHg
Vapour Pressure: 4.41E-09 mmHg at 25°C

Uses

 Mercurophylline (CAS NO.8012-34-8) is kidney / urinary system drug.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 149, 1950.
human TDLo intravenous 28mg/kg (28mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) JAMA, Journal of the American Medical Association. Vol. 117, Pg. 1806, 1941.
mouse LD50 intravenous 1410mg/kg (1410mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 149, 1950.
mouse LD50 subcutaneous 163mg(Hg)/kg (163mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
rabbit LDLo intravenous 177mg/kg (177mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 149, 1950.
rat LD50 intraperitoneal 121mg/kg (121mg/kg)   Therapie. Vol. 10, Pg. 936, 1955.

Consensus Reports

Mercury and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by subcutaneous, intraperitoneal, and intravenous routes. Human systemic effects by intravenous route: cardiac arrythmias. When Mercurophylline (CAS NO.8012-34-8) is heated to decomposition, it emits toxic fumes of Hg. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.

Standards and Recommendations

OSHA PEL: CL 0.1 mg(Hg)/m3 (skin)
ACGIH TLV: TWA 0.1 mg(Hg)/m3 (skin); BEI: 35 µg/g creatinine total inorganic mercury in urine preshift; 15 µg/g creatinine total inorganic mercury in blood at end of shift at end of workweek.
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
NIOSH REL: (Mercury, Aryl and Inorganic) CL 0.1 mg/m3 (skin)