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Valproic acid-[d6]

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General Information
Catalog: BLP-009667
CAS: 87745-18-4
Molecular Formula: C8H12D6O2
Molecular Weight: 150.25

Chemical Structure

Description	One of the isotopic labelled form of Valproic Acid, which could be used as an antiepileptic agent.
Synonyms	2-(Propyl-3,3,3-d3)pentanoic-5,5,5-d3 Acid; Dipropylacetic Acid-d6; 2-Propylvaleric Acid-d6
IUPAC Name	5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid
Related CAS	99-66-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O
Canonical SMILES	CCCC(CCC)C(=O)O
InChI	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChI Key	NIJJYAXOARWZEE-WFGJKAKNSA-N
Boiling Point	220ºC at 760 mmHg
Flash Point	116.6ºC
Purity	95% by HPLC; 98% atom D
Density	0.965g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Colorless to light yellow (Liquid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month