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67465-44-5

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Basic Information
CAS No.: 67465-44-5
Name: [3-(5,5-diethyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-2-methoxypropyl]mercury hydrate
Molecular Structure:
Molecular Structure of 67465-44-5 ([3-(5,5-diethyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)-2-methoxypropyl]mercury hydrate)
Formula: C12H20HgN2O5
Molecular Weight: 472.93
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Hg and NOx. See also MERCURY COMPOUNDS, INORGANIC; MERCURY COMPOUNDS, ORGANIC.
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Chemistry

IUPAC Name: Di(propan-2-yloxy)phosphinothioyl N,N-diethylcarbamodithioate
Synonyms of N-(2-Methoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-44-5): Hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-methoxypropyl)mercury ; Mercury, hydroxy(3-(5,5-diethyl-2,4,6-trioxo-(1H,3H,5H)-pyrimidino)-2-methoxypropyl)-
InChI: InChI=1/C12H19N2O4.Hg.H2O/c1-5-12(6-2)9(15)13-11(17)14(10(12)16)7-8(3)18-4;;/h8H,3,5-7H2,1-2,4H3,(H,13,15,17);;1H2/rC12H19HgN2O4.H2O/c1-4-12(5-2)9(16)14-11(18)15(10(12)17)7-8(6-13)19-3;/h8H,4-7H2,1-3H3,(H,14,16,18);1H2
InChIKey: KSOFYMGBTFZRES-QUEGWHTIAD
Std. InChI: InChI=1S/C12H19N2O4.Hg.H2O/c1-5-12(6-2)9(15)13-11(17)14(10(12)16)7-8(3)18-4;;/h8H,3,5-7H2,1-2,4H3,(H,13,15,17);;1H2
Std. InChIKey: KSOFYMGBTFZRES-UHFFFAOYSA-N
CAS NO: 67465-44-5
Molecular Formula: C12H21HgN2O5
Molecular Weight: 473.8955
Molecular Structure :
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 66.92 Å2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 23200ug/kg (23.2mg/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-Methoxy-3-hydroxymercuripropyl)barbital (CAS NO.67465-44-5) is heated to decomposition, it emits very toxic fumes of Hg and NOx. 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)