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2-(Propyl-2,3-[13C2])pentanoic-4,5-[13C2] acid sodium salt

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General Information
Catalog: BLP-005629
CAS: 1173021-77-6
Molecular Formula: [13C]4C4H15NaO2
Molecular Weight: 170.16

Chemical Structure

Description	2-(Propyl-2,3-[13C2])pentanoic-4,5-[13C2] acid sodium salt is intended for use as an internal standard for Valproic Acid sodium salt. Valproic acid is an analogue of the natural fatty acid valeric acid that inhibits class I histone deacetylases (HDACs) with an IC50 value of approximately 2 mM.
IUPAC Name	sodium;2-(2,3-13C2)propyl(4,5-13C2)pentanoate
Related CAS	1069-66-5 (unlabelled)
Isomeric SMILES	[13CH3][13CH2]CC(C[13CH2][13CH3])C(=O)[O-].[Na+]
Canonical SMILES	CCC(CCC)C(=O)[O-].[Na+]
InChI	InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1/i1+1,2+1,3+1,4+1;
InChI Key	AEQFSUDEHCCHBT-UJNKEPEOSA-M
Boiling Point	220°C
Purity	98% by CP; 99% atom 13C
Appearance	White Solid