rac α-Lipoic Acid-[d5]

Category	Human immunodeficiency Virus (HIV)
CAS	1189471-66-6
Description	rac α-Lipoic Acid-[d5] is the labelled analogue of rac α-Lipoic Acid, which is a fat-metabolism stimulator.

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Synonyms	Alpha Lipoic acid-d5; rac α-Lipoic Acid-d5; (+/-)-1,2-Dithiolane-3-pentanoic Acid-d5; (+/-)-1,2-Dithiolane-3-valeric Acid-d5; (+/-)-Thioctic Acid-d5; (RS)-α-Lipoic Acid-d5; DL-Thioctic Acid-d5; Liposan-d5; Lipothion-d5; NSC 628502-d5; NSC 90788-d5; Protogen A-d5; Thioctsan-d5; Tioctacid-d5
IUPAC Name	5,5-dideuterio-5-(3,4,4-trideuteriodithiolan-3-yl)pentanoic acid
Molecular Weight	211.35
Molecular Formula	C8H9D5O2S2
Canonical SMILES	C1CSSC1CCCCC(=O)O
InChI	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/i3D2,5D2,7D
InChIKey	AGBQKNBQESQNJD-KEDGJJNOSA-N
Boiling Point	362.5±11.0 °C at 760 mmHg
Melting Point	58-61°C
Flash Point	173.0±19.3 °C
Purity	≥96% by HPLC; 99% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance	Pale Yellow to Light Yellow Solid
Storage	Store at -20°C under inert atmosphere
Index Of Refraction	1.562
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA	87.90000
Target	NF-κB; HIV; Mitochondrial Metabolism; Endogenous Metabolite; Apoptosis
Vapor Pressure	0.0±1.7 mmHg at 25°C