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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H26NO2S2.C7H7O3S
Molecular Weight 463.675
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARLIPOIC ACID CHOLINE ESTER TOSYLATE

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.C[N+](C)(C)CCOC(=O)CCCC[C@@H]2CCSS2

InChI

InChIKey=SHSBRPKTDQEVLB-UTONKHPSSA-M
InChI=1S/C13H26NO2S2.C7H8O3S/c1-14(2,3)9-10-16-13(15)7-5-4-6-12-8-11-17-18-12;1-6-2-4-7(5-3-6)11(8,9)10/h12H,4-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t12-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C7H7O3S
Molecular Weight 171.194
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 19:10:15 GMT 2023
Edited
by admin
on Sat Dec 16 19:10:15 GMT 2023
Record UNII
3G2L8N6PQM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARLIPOIC ACID CHOLINE ESTER TOSYLATE
Common Name English
ARLIPOIC ACID CHOLINE ESTER TOSILATE
Common Name English
2-((5-(3R)-1,2-DITHIOLAN-3-YL-1-OXOPENTYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM TOSYLATE
Systematic Name English
ALPHA-R-LIPOIC ACID CHOLINE ESTER TOSILATE
Common Name English
Code System Code Type Description
SMS_ID
300000019953
Created by admin on Sat Dec 16 19:10:16 GMT 2023 , Edited by admin on Sat Dec 16 19:10:16 GMT 2023
PRIMARY
FDA UNII
3G2L8N6PQM
Created by admin on Sat Dec 16 19:10:16 GMT 2023 , Edited by admin on Sat Dec 16 19:10:16 GMT 2023
PRIMARY
PUBCHEM
163203569
Created by admin on Sat Dec 16 19:10:16 GMT 2023 , Edited by admin on Sat Dec 16 19:10:16 GMT 2023
PRIMARY
CAS
2705844-44-4
Created by admin on Sat Dec 16 19:10:16 GMT 2023 , Edited by admin on Sat Dec 16 19:10:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE