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2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID is a deuterated analog of valproic acid, an antiepileptic drug and mood stabilizer. It is a colorless liquid and is used as an internal standard and certified spiking solution for quantitation of valproic acid levels in various matrices by LC/MS or GC/MS.

87745-18-4

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87745-18-4 Usage

Uses

Used in Clinical Toxicology:
2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID is used as an internal standard for the quantitation of valproic acid levels in urine or other matrices, aiding in the assessment of potential drug toxicity and overdose situations.
Used in Forensic Analysis:
In forensic analysis, 2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID serves as a certified spiking solution to accurately determine the presence and concentration of valproic acid in biological samples, which can be crucial in legal investigations.
Used in Medication Monitoring:
2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID is utilized as a reference compound in medication monitoring, ensuring that patients are receiving the appropriate dosage of valproic acid for effective treatment.
Used in Urine Drug Testing:
As a certified spiking solution, 2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID is employed in urine drug testing to verify the presence of valproic acid and monitor compliance with prescribed medication regimens.
Used in Therapeutic Drug Monitoring:
2-(PROPYL-3,3,3-D3)PENTANOIC-5,5,5-D3 ACID is used as an internal standard in therapeutic drug monitoring, helping to maintain optimal valproic acid levels for the treatment of epilepsy, bipolar disorder, migraine headaches, and depression.

Check Digit Verification of cas no

The CAS Registry Mumber 87745-18-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,7,4 and 5 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 87745-18:
(7*8)+(6*7)+(5*7)+(4*4)+(3*5)+(2*1)+(1*8)=174
174 % 10 = 4
So 87745-18-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3

87745-18-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid

1.2 Other means of identification

Product number -
Other names Depakine-d6

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:87745-18-4 SDS

87745-18-4Upstream product

87745-18-4Downstream Products

87745-18-4Relevant academic research and scientific papers

Use of hexadeuterated valproic acid and gas chromatography-mass spectrometry to determine the pharmacokinetics of valproic acid

Acheampong,Abbott,Orr,Ferguson,Burton

, p. 489 - 494 (1984)

Di-([13,3,3-2H3]propyl)acetic acid, a hexadeuterated analogue of valproic acid, was synthesized and its pharmacolinetic properties compared with valproic acid. Concentrations of valproic acid and [2H]valproic acid in serum and saliva were determined by GC-MS using selected-ion monitoring. Saliva drug levels were measured with good precision down to 0.1 μg/mL. Kinetic equivalence of valproic acid and [2H]valproic acid was demonstrated in a single-dose study in a human volunteer. An isotope effect was observed for ω-oxidation, but the difference in metabolism was not sufficient to make [2H]valproic acid biologically nonequivalent. The application of [2H]valproic acid to determine the kinetics of valproic acid under steady-state concentrations was evaluated in the same volunteer. The kinetic data obtained with [2H]valproic acid was consistent with previously reported values for valproic acid including kinetic differences observed between single-dose and steady-state experiments. Saliva levels of valproic acid were found to give a good correlation (r = 0.953) with total serum valproic acid under multiple-dose conditions. A concentration dependence was found for the ratio of saliva valproic acid to free valproic acid in serum, low ratios being observed at high serum concentrations of valproic acid.

Mild and Direct Multiple Deuterium-Labeling of Saturated Fatty Acids

Yamada, Tsuyoshi,Park, Kwihwan,Yasukawa, Naoki,Morita, Kosuke,Monguchi, Yasunari,Sawama, Yoshinari,Sajiki, Hironao

supporting information, p. 3277 - 3282 (2016/10/21)

We have established a mild and direct platinum on carbon (Pt/C)-catalyzed multi-deuterium labeling of various saturated fatty acids including bioactive compounds with high deuterium efficiencies in a mixed solvent of isopropyl alcohol and deuterium oxide

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