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Pentobarbital Sodium Salt

CAT: 1459-CS-T-57140Size: 1 EachDry Ice: NoHazardous: No
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Description
Pentobarbital Sodium Salt is listed under API and is intended for research and analytical applications. It is associated with Pentobarbital. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
57-33-0
Synonyms
Pentobarbital Sodium Salt
Molecular Formula
C 11 H 18 N 2 NaO 3
Molecular Weight
249.26
Additionnal Information
Pentobarbital Sodium Salt is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

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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