CID 10154225

Base Information

• Chemical Name: CID 10154225
• CAS No.: 1069-66-5
• Molecular Formula: C8H15NaO2
• Molecular Weight: 166.196
• Hs Code.: Oral rat LD50: 670 mg/kg
• Mol file: 1069-66-5.mol

Synonyms:SCHEMBL244738

Chemical Property of CID 10154225

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.0435mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 220 °C at 760 mmHg
• PKA: 4.8(at 25℃)
• Flash Point: 116.6 °C
• PSA: 40.13000
• Density: 1.0803 g/cm3
• LogP: 0.95270
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: 50 mg/mL
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 167.10479903
• Heavy Atom Count: 11
• Complexity: 93.4

Purity/Quality:

99% ^*data from raw suppliers

Sodium Valproate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,Xi
• Hazard Codes: Xn,T,Xi
• Statements: 22-61-36/38-36/37/38
• Safety Statements: 36/37-53-45-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)O.[Na]
• Description: Sodium Valproate (1069-66-5) is a histone deacetylase inhibitor (IC50 = 400μM).1 Demonstrates neuroprotective, anticancer, and anti-inflammatory activity.2? Inhibits Aβ production, reduced neuritic plaque formation, and improved memory deficits in Alzheimer’s mouse models.3? Improves stem cell reprogramming efficiency and enables efficient induction of pluripotency without introduction of the oncogene c-Myc.4 Clinically useful anticonvulsant.
• Uses: Antiepileptic; increases levels of GABA in the brain antibacterial Anticonvulsant
• Therapeutic Function: Anticonvulsant, Antiepileptic
• Clinical Use: All forms of epilepsy Migraine prophylaxis (unlicensed)
• Drug interactions: Potentially hazardous interactions with other drugs Antibacterials: metabolism possibly inhibited by erythromycin; avoid with pivmecillinam; concentration reduced by carbapenems - avoid. Antidepressants: antagonise anticonvulsant effect; avoid with St John’s wort. Antiepileptics: concentration reduced by carbamazepine; concentration of active carbamazepine metabolite increased; increased concentration of lamotrigine, phenobarbital, rufinamide and possibly ethosuximide; sometimes reduces concentration of active metabolite of oxcarbazepine; alters phenytoin concentration; phenytoin and phenobarbital reduce valproate concentration; hyperammonaemia and CNS toxicity with topiramate. Antimalarials: mefloquine antagonises anticonvulsant effect. Antipsychotics: antagonise anticonvulsant effect; increased neutropenia with olanzapine; possibly increases or decreases concentration of clozapine; possibly increases quetiapine concentration. Ciclosporin: variable ciclosporin blood level response. Orlistat: possibly increased risk of convulsions. Sodium oxybate: concentration of sodium oxybate increased. Ulcer-healing drugs: metabolism inhibited by cimetidine, increased concentration.

Technology Process of CID 10154225

There total 3 articles about CID 10154225 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: 100.0%

valproic acid (99-66-1) → sodium valproate (1069-66-5)

Guidance literature:

With sodium hydroxide; In water; Product distribution / selectivity;

Reference yield: 87.2%

ethyl 2-propylpentanoate (17022-31-0) → sodium valproate (1069-66-5)

Guidance literature:

With methanol; sodium hydroxide; for 9h; Time; Reflux; Large scale;

Reference yield:

propyl bromide (106-94-5) + diethyl malonate (105-53-3) → sodium valproate (1069-66-5)

Guidance literature:

propyl bromide; diethyl malonate; With sodium ethanolate; In ethanol; at 50 ℃; for 2h;

With sodium hydroxide; In water; at 60 ℃; for 3h;

at 110 ℃;

upstream raw materials:

valproic acid

propyl bromide

diethyl malonate

ethyl 2-propylpentanoate

Downstream raw materials:

2-propyl-pentanoic acid [methyl-(4-nitro-benzenesulfonyl)-amino]-methyl ester

(N-methylbenzamido)methyl 2-propylpentanoate

valproic acid

Refernces

• 1、 -. "Preparation method of sodium valproate". Paragraph 0044; 0050-0052; 0058-0060; 0066-0068; 0074; .... . Retrieved 2021/08/06.
• 2、 -. "Preparation method of sodium valproate". Paragraph 0033; 0036-0037; 0038; 0041-0042; 0043; 0046-0047. . Retrieved 2020/07/14.