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Details

Stereochemistry EPIMERIC
Molecular Formula C8H14O2S2.C7H17NO5
Molecular Weight 401.539
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOCTIC ACID MEGLUMINE

SMILES

OC(=O)CCCCC1CCSS1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChIKey=QPTVXUUGWBDFLV-WZTVWXICSA-N
InChI=1S/C8H14O2S2.C7H17NO5/c9-8(10)4-2-1-3-7-5-6-11-12-7;1-8-2-4(10)6(12)7(13)5(11)3-9/h7H,1-6H2,(H,9,10);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

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 C7H17NO5
Molecular Weight 195.2136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:49 UTC 2023
Edited
by admin
on Sat Dec 16 08:13:49 UTC 2023
Record UNII
146TUC9N9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOCTIC ACID MEGLUMINE
Common Name English
1,2-DITHIOLANE-3-PENTANOIC ACID, COMPD. WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:1)
Common Name English
D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, 1,2-DITHIOLANE-3-PENTANOATE (1:1) (SALT)
Systematic Name English
.ALPHA.-LIPOIC ACID MEGLUMINE
Common Name English
ALPHA-LIPOIC ACID, MEGLUMINE SALT
Common Name English
Thioctic acid meglumine [WHO-DD]
Common Name English
.ALPHA.-LIPOIC ACID, MEGLUMINE SALT
Common Name English
Code System Code Type Description
PUBCHEM
91668164
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
PRIMARY
FDA UNII
146TUC9N9F
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
PRIMARY
CAS
176110-78-4
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
ALTERNATIVE
SMS_ID
100000144654
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
PRIMARY
EVMPD
SUB121426
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
PRIMARY
CAS
176110-77-3
Created by admin on Sat Dec 16 08:13:50 UTC 2023 , Edited by admin on Sat Dec 16 08:13:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY