CAS 462-20-4 Dihydrolipoic Acid (HCID 421)

Überblick

Dihydrolipoic acid is a thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. It has a role as an antioxidant, a neuroprotective agent and a human metabolite. It is functionally related to an octanoic acid. It is a conjugate acid of a dihydrolipoate.

Namen und Bezeichner

Bevorzugter Name: Dihydrolipoic Acid
IUPAC: 6,8-bis(sulfanyl)octanoic acid
Englischer Name: Dihydrolipoic acid
Summenformel: C8H16O2S2
Molmasse: 208.34

Namen und Synonyme

Dihydrolipoic acid462-20-46,8-Dimercaptooctanoic acidDihydrothioctic acid6,8-disulfanyloctanoic acid6,8-Dihydrothioctic acid6,8-bis(sulfanyl)octanoic acidThioctic acid, dihydro-6,8-bis-sulfanyloctanoic acidOCTANOIC ACID, 6,8-DIMERCAPTO-7NV2KHU5JACHEBI:18047

Weitere Namen anzeigen

dihydrolipoateLIPOIC ACID, REDUCED6,8-DIMERCAPTO-OCTANOIC ACIDusafxr-12USAF XR-12Dihydroliponsurereducedlipoicaciddihydro-lipoicaci

DTXSID50861946RefChem:133863DTXCID70810794610-288-5675-983-8DihydrolipoicacidDHLAReduced lipoic acid

Datenbank-Bezeichner

CAS: 462-20-4
PubChem CID: 421
DTXSID: DTXSID50861946
ChEMBL: CHEMBL1235647
ChEBI: CHEBI:18047
UNII: 7NV2KHU5JA
EC Number: 610-288-5
Nikkaji: J86.722E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 39,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 12
Formalladung: 0
Komplexität: 128

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 62 °C · 62 °C
Siedepunkt: 161.5 °C · 161.5 °C(Press: 0.7 Torr)
Dichte: 1.132 g/cm3 · 1.132 g/cm3
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.522 · 1.5220-1.5260
storage temp.: 2 C · +2C to +8C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: liquid
pka: 4.74 · 4.74±0.10(Predicted)
Farbe: light yellow
InChI: InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
InChIKey: IZFHEQBZOYJLPK-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCC(S)CCS
LogP: 1.9 at · 1.9 at 20℃
Oberflächenspannung: 53.6 mN/m · 53.6mN/m at 1.02g/L and 21℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 26-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11996

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2930.90.4950
RTECS-Nr.: RH0525000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Cellular LocationsExtracellular

Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency

Anwendungen

Verwendenγ-Lipoic Acid, is a metabolite of α-Lipoic Acid (L468730), which is a over-the-counter nutritional supplements, that has been used as antioxidant. It is also fat-metabolism stimulator, and thus used a "weight loss" and "energy" supplement.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

5-(1,2-Dithiolan-3-yl)valeriansure

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.