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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H26NO2S2
Molecular Weight 292.481
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of ARLIPOIC ACID CHOLINE ESTER

SMILES

C[N+](C)(C)CCOC(=O)CCCC[C@@H]1CCSS1

InChI

InChIKey=BJNSJJXGLIMYAJ-GFCCVEGCSA-N
InChI=1S/C13H26NO2S2/c1-14(2,3)9-10-16-13(15)7-5-4-6-12-8-11-17-18-12/h12H,4-11H2,1-3H3/q+1/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H26NO2S2
Molecular Weight 292.481
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

THIOCTIC ACID, also known as alpha-lipoic acid, is a vitamin-like antioxidant that acts as a free-radical scavenger. It exists in two enantiomeric forms, R and S, being the R isoform an essential cofactor of four mitochondrial enzyme complexes. THIOCTIC ACID is available as an over-the-counter nutritional supplement and has been used nutritionally and clinically since the 1950s for various diseases and conditions.

Approval Year

PubMed

PubMed

TitleDatePubMed
Alpha-lipoic acid as a dietary supplement: molecular mechanisms and therapeutic potential.
2009 Oct
Alpha-lipoic acid as a pleiotropic compound with potential therapeutic use in diabetes and other chronic diseases.
2014
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:46 GMT 2023
Record UNII
H3PX4O36U1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARLIPOIC ACID CHOLINE ESTER
Common Name English
.ALPHA.-R-LIPOIC ACID CHOLINE ESTER
Common Name English
Code System Code Type Description
CAS
1258491-58-5
Created by admin on Sat Dec 16 11:18:46 GMT 2023 , Edited by admin on Sat Dec 16 11:18:46 GMT 2023
PRIMARY
FDA UNII
H3PX4O36U1
Created by admin on Sat Dec 16 11:18:46 GMT 2023 , Edited by admin on Sat Dec 16 11:18:46 GMT 2023
PRIMARY
PUBCHEM
49831413
Created by admin on Sat Dec 16 11:18:46 GMT 2023 , Edited by admin on Sat Dec 16 11:18:46 GMT 2023
PRIMARY
SMS_ID
300000019952
Created by admin on Sat Dec 16 11:18:46 GMT 2023 , Edited by admin on Sat Dec 16 11:18:46 GMT 2023
PRIMARY
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