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Pentobarbital Sodium Salt

CAT: 0572-TRC-P276000-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P276000-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57-33-0
Synonyms
5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione sodium salt; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt; 5-Ethyl-5-(1-methylbutyl) barbituric acid sodium salt; 844; Auropan; Barpental; Biosedan; Butylone; Diabutal; Embutal; Entobar; Etaminal sodium; Ethaminal sodium; Euthanyl; Euthatal; Isobarb; Mebubarbital sodium; Mebumal sodium; Mebunat; NSC 10816; Napental; Narcoren; Nembutal sodium; Pacifan; Pental; Pentobarbital sodium; Pentobarbitone sodium; Pentonal; Pentone; Praecicalm; RS-Pentobarbital sodium; Sagatal; Sodium 5-ethyl-5-(1-methylbutyl)barbiturate; Sodium ethaminal; Sodium nembutal; Sodium pental; Sodium pentobarbital; Sodium pentobarbitone; Sodium pentobarbiturate; Sodium-Pent; Soluble pentobarbital; Somnopentyl; Somnotol; Sopental; Sotyl; V-Pento; Vetbutal
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[O-]
Molecular Formula
C11 H17 N2 O3 . Na
Molecular Weight
248.25
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
Additionnal Information
IUPAC name: sodium;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pentobarbital Sodium

Pentobarbital Sodium can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number57-33-0
PubChem CID23676152
IUPAC Namesodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
Molecular FormulaC11H17N2NaO3
Molecular Weight248.25
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity344
SMILES
CCCC(C)C1(C(=O)NC(=NC1=O)[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
InChIKey
QGMRQYFBGABWDR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Pentobarbital Sodium
CAS: 57-33-0
CID: 23676152
Formula: C11H17N2NaO3
MW: 248.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.25
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass248.11368669
Monoisotopic Mass248.11368669
Topological Polar Surface Area81.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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