80693
(±)-2-Propyl-4-pentenoic acid
analytical standard
别名:
2-Allylpentanoic acid
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关于此项目
经验公式（希尔记法）:
C8H14O2
化学文摘社编号:
分子量:
142.20
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1704069
InChI key
UMYDNZXEHYSVFY-UHFFFAOYSA-N
SMILES string
C=CCC(CCC)C(O)=O
InChI
1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)
grade
analytical standard
assay
≥97.0% (GC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
pharmaceutical
format
neat
storage temp.
2-8°C
Quality Level
General description
2-Propyl-4-pentenoic acid is the main teratogenic and hepatotoxic metabolite of valproic acid, an anticonvulsant prescribed for treating seizures and for the maintenance phase of bipolar disorders.
Application
2-Propyl-4-pentenoic acid may be used as an analytical standard for the determination of the analyte in biological samples by various chromatography-based techniques.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
signalword
Danger
hcodes
pcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Quantification of valproic acid and its metabolite 2-propyl-4-pentenoic acid in human plasma using HPLC-MS/MS
Cheng H, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 850(1-2), 206-212 (2007)
Determination of valproic acid and its metabolites using gas chromatography with mass-selective detection: application to serum and urine samples from sheep
Yu D, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 666(2), 269-281 (1995)
Comparative toxicity of valproic acid and its metabolites in liver slices from adult rats, weanling rats and humans
Fisher RL, et al.
Toxicology in vitro, 8(3), 371-379 (1994)
Cheng Chang et al.
Molecular pharmacology, 94(2), 823-833 (2018-06-02)
Kynurenic acid (KYNA) plays a significant role in maintaining normal brain function, and abnormalities in KYNA levels have been associated with various central nervous system disorders. Confirmation of its causality in human diseases requires safe and effective modulation of central
Prophylactic efficacy of lithium, valproic acid, and carbamazepine in the maintenance phase of bipolar disorder: a naturalistic study
Peselow ED, et al.
International Clinical Psychopharmacology, 31(4), 218-223 (2016)
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