Methohexital

Base Information

• Chemical Name: Methohexital
• CAS No.: 151-83-7
• Deprecated CAS: 18652-93-2,115621-33-5,7187-72-6,115621-33-5,7187-72-6
• Molecular Formula: C₁₄H₁₈N₂O₃
• Molecular Weight: 262.309
• Hs Code.: 2933599550
• European Community (EC) Number: 205-798-6
• UNII: E5B8ND5IPE
• DSSTox Substance ID: DTXSID1023287
• Nikkaji Number: J10.986J
• Wikipedia: Methohexital
• Wikidata: Q851813
• NCI Thesaurus Code: C66116
• RXCUI: 6847
• Pharos Ligand ID: P16QGYKAXGFL
• Metabolomics Workbench ID: 42821
• ChEMBL ID: CHEMBL7413
• Mol file: 151-83-7.mol

Synonyms:Brevimytal Natrium;Brevital;Brietal;Brietal Sodium;Brietal-Sodium;Methohexital;Methohexital Sodium;Methohexital, Monosodium Salt;Methohexitone;Monosodium Salt Methohexital;Natrium, Brevimytal;Sodium, Methohexital

Chemical Property of Methohexital

Chemical Property:

• Melting Point: 96 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.504
• Boiling Point: °Cat760mmHg
• PKA: 7.82±0.10(Predicted)
• Flash Point: °C
• PSA: 66.48000
• Density: 1.113
• LogP: 1.57330
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.13174244
• Heavy Atom Count: 19
• Complexity: 497

Purity/Quality:

99%, ^*data from raw suppliers

Methohexital solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C
• Recent ClinicalTrials: Ketamine as an Augmentation Strategy for Electroconvulsive Therapy (ECT) in Depression
• Recent EU Clinical Trials: A prospective randomized, double blind, controlled, safety and non-inferiority study of esketamine plus propofol compared to methohexital anesthesia for electroconvulsive therapy
• Uses: Methohexital is a short-acting barbiturate used as a sedative. Methohexital is used an anesthetic for oral surgery and dentistry and is also used to induce anesthesia prior to electroconvulsive therapy (ECT). Methohexital is a Controlled Substance.

Technology Process of Methohexital

There total 2 articles about Methohexital 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:

→ methohexital (151-83-7,115621-28-8,115653-70-8,18652-93-2)

Guidance literature:

With dimethyl sulfate;

Reference yield:

→ methohexital (151-83-7,115621-28-8,115653-70-8,18652-93-2)

Guidance literature:

/BRN= 239724/;

Reference yield:

methohexital (151-83-7,115621-28-8,115653-70-8,18652-93-2) → (R)-methohexital (18652-93-2)

Guidance literature:

In propan-1-ol; 1,2-dichloro-ethane; at 25 ℃; HPLC chiral separation by derivative of N,N'-2,6-pyridinediylbis<(S)-2-phenylbutanamide>;

DOI:10.1021/ja00272a027

Downstream raw materials:

(R)-methohexital

(S)-methohexital