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67465-42-3

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Basic Information
CAS No.: 67465-42-3
Name: [3-(5,5-diethyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-2-ethoxypropyl]mercury hydrate
Molecular Structure:
Molecular Structure of 67465-42-3 ([3-(5,5-diethyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-2-ethoxypropyl]mercury hydrate)
Formula: C13H22HgN2O5
Molecular Weight: 486.96
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, ORGANIC and BARBITURATES.
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Chemistry

IUPAC Name: Hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-ethoxypropyl)mercury
Synonyms of N-(2-Ethoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-42-3): Hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-ethoxypropyl)mercury ; Mercury, hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-ethoxypropyl)-
InChI: InChI=1/C13H21N2O4.Hg.H2O/c1-5-13(6-2)10(16)14-12(18)15(11(13)17)8-9(4)19-7-3;;/h9H,4-8H2,1-3H3,(H,14,16,18);;1H2/rC13H21HgN2O4.H2O/c1-4-13(5-2)10(17)15-12(19)16(11(13)18)8-9(7-14)20-6-3;/h9H,4-8H2,1-3H3,(H,15,17,19);1H2
InChIKey: PVYQPYZFHHBAGB-SHBWIJFDAB
Std. InChI: InChI=1S/C13H21N2O4.Hg.H2O/c1-5-13(6-2)10(16)14-12(18)15(11(13)17)8-9(4)19-7-3;;/h9H,4-8H2,1-3H3,(H,14,16,18);;1H2
Std. InChIKey: PVYQPYZFHHBAGB-UHFFFAOYSA-N
CAS NO: 67465-42-3
Molecular Formula: C13H23HgN2O5
Molecular Weight: 487.922120 g/mol
Molecular Structure :
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 66.92 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 18600ug/kg (18.6mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 37, Pg. 333, 1948.

Consensus Reports

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

Safety Profile

Poison by intravenous route. When N-(2-Ethoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-42-3) is heated to decomposition, it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, ORGANIC and BARBITURATES.

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)