Pentobarbital

Base Information Edit

Chemical Name:Pentobarbital
CAS No.:76-74-4
Molecular Formula:C11H18N2O3
Molecular Weight:226.276
Hs Code.:2933530000
European Community (EC) Number:200-983-8
NSC Number:760434,28708
UNII:I4744080IR
DSSTox Substance ID:DTXSID7023435
Nikkaji Number:J4.552G
Wikipedia:Pentobarbital
Wikidata:Q409632
NCI Thesaurus Code:C61885
RXCUI:8004
Pharos Ligand ID:WUHF1NWW8Z7U
Metabolomics Workbench ID:42699
ChEMBL ID:CHEMBL448
Mol file:76-74-4.mol

Synonyms:Diabutal;Etaminal;Ethaminal;Mebubarbital;Mebumal;Monosodium Salt Pentobarbital;Nembutal;Pentobarbital;Pentobarbital Sodium;Pentobarbital, Monosodium Salt;Pentobarbitone;Sagatal

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Pentobarbital Edit

Chemical Property:

Melting Point:129.5°C
Refractive Index:1.4620 (estimate)
Boiling Point:367.89°C (rough estimate)
PKA:pK1:8.11(0) (25°C)
Flash Point:9℃
PSA：75.27000
Density:1.081 g/cm³
LogP:1.84260
Storage Temp.:2-8°C
Solubility.:Very slightly soluble in water, freely soluble in ethanol. It forms water-soluble compounds with alkali hydroxides and carbonates and with ammonia.
Water Solubility.:679 mg/L
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:226.13174244
Heavy Atom Count:16
Complexity:305

Purity/Quality:

Safty Information:

Pictogram(s): F; T
Hazard Codes:T,F
Statements: 25-63-39/23/24/25-36/38-23/24/25-11
Safety Statements: 7-16-36/37-45-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
Recent ClinicalTrials:A Comparison of Two Sedation Techniques in Children Undergoing Transthoracic Echocardiography (TTE)
Description Pentobarbital (CRM) (Item No. 20966) is a certified reference material categorized as a barbiturate. Pentobarbital is regulated as a Schedule II compound in the United States. Pentobarbital (CRM) (Item No. 20966) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
Uses Sedative-hypnotic.

Technology Process of Pentobarbital

There total 10 articles about Pentobarbital which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 27.0%

: 76-72-2
diethyl ethyl(1-methyl-butyl)malonate

: 57-13-6
urea

: 76-74-4
pentobarbital

Guidance literature:: With tetraethylammonium perchlorate; In N,N-dimethyl-formamide; Ambient temperature; electrolysis;
DOI:10.1248/cpb.37.3117