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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2S2.C2H8N2
Molecular Weight 266.424
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLENEDIAMINE THIOCTATE

SMILES

NCCN.OC(=O)CCCCC1CCSS1

InChI

InChIKey=DHGXQOVAVZUVPZ-UHFFFAOYSA-N
InChI=1S/C8H14O2S2.C2H8N2/c9-8(10)4-2-1-3-7-5-6-11-12-7;3-1-2-4/h7H,1-6H2,(H,9,10);1-4H2

HIDE SMILES / InChI
Molecular Formula C8H14O2S2
Molecular Weight 206.326
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )
Molecular Formula C2H8N2
Molecular Weight 60.0983
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:14:11 UTC 2023
Edited
by admin
on Sat Dec 16 07:14:11 UTC 2023
Record UNII
3G98348KML
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYLENEDIAMINE THIOCTATE
Common Name English
THIOCTIC ACID ETHYLENEDIAMINE [MI]
Common Name English
ETHYLENEDIAMINE THIOCTATE, (±)-
Common Name English
Thioctic acid ethylenediamine [WHO-DD]
Common Name English
1,2-ETHANEDIAMINE, 1,2-DITHIOLANE-3-PENTANOATE (1:1)
Systematic Name English
1,2-DITHIOLANE-3-PENTANOIC ACID, COMPD. WITH 1,2-ETHANEDIAMINE (1:1)
Common Name English
(±)-ETHYLENEDIAMINE THIOCTATE
Common Name English
Code System Code Type Description
SMS_ID
100000137917
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY
PUBCHEM
71587717
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY
EVMPD
SUB76859
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY
CAS
354124-52-0
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY
FDA UNII
3G98348KML
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY
MERCK INDEX
m10749
Created by admin on Sat Dec 16 07:14:11 UTC 2023 , Edited by admin on Sat Dec 16 07:14:11 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of Ethylenediamine
PARENT -> SALT/SOLVATE
Structure of ALPHA LIPOIC ACID
PARENT -> SALT/SOLVATE
NIH
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