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Name	R(+)-Pentobarbital sodium	EINECS	N/A
CAS No.	21642-83-1	Density	g/cm³
PSA	85.08000	LogP	1.60930
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₁₇N₂O₃•Na	Boiling Point	°Cat760mmHg
Molecular Weight	248.29	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intraperitoneal and intravenous routes. Abuse may lead to addiction. When heated to decomposition it emits toxic fumes of NO_x and Na₂O. See also BARBITURATES.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

R(+)-Pentobarbital sodium Chemical Properties

Molecule structure of R(+)-Pentobarbital sodium (CAS NO.21642-83-1):

IUPAC Name: Sodium 5-ethyl-5-[(2R)-pentan-2-yl]pyrimidin-3-ide-2,4,6-trione
Molecular Weight: 248.25405 g/mol
Molecular Formula: C₁₁H₁₇N₂NaO₃
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 248.113687
MonoIsotopic Mass: 248.113687
Topological Polar Surface Area: 64.2
Heavy Atom Count: 17
Complexity: 333
Defined Atom StereoCenter Count: 1
Undefined Atom StereoCenter Count: 1
Canonical SMILES: CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]
Isomeric SMILES: CCC[C@@H](C)C1(C(=O)NC(=O)[N-]C1=O)CC.[Na+]
InChI: InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1/t7-;/m1./s1
InChIKey of R(+)-Pentobarbital sodium (CAS NO.21642-83-1): QGMRQYFBGABWDR-OGFXRTJISA-M

R(+)-Pentobarbital sodium Toxicity Data With Reference

1.		ipr-mus LD50:185 mg/kg		TXAPA9 Toxicology and Applied Pharmacology. 26 (1973),495.
2.		ivn-mus LD50:147 mg/kg		TXAPA9 Toxicology and Applied Pharmacology. 26 (1973),495.

R(+)-Pentobarbital sodium Safety Profile

Poison by intraperitoneal and intravenous routes. Abuse may lead to addiction. When heated to decomposition it emits toxic fumes of NO_x and Na₂O. See also BARBITURATES.

R(+)-Pentobarbital sodium Specification

R(+)-Pentobarbital sodium (CAS NO.21642-83-1) is also named as (+)-Pentobarbital ; R(+)-5-Ethyl-5-(1-methylbutyl)barbituric acid sodium salt ; R(+)-Pentobarbital ; Sodium (R)(+)-pentobarbital ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt, (R)- (9CI) ; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt, R(+)- .

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