Chemical identity

alpha Lipoic Acid Impurity E

CAS 2114407-82-6 · C8H14O3S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-05623
PubChem CID175674270
Namealpha Lipoic Acid Impurity E
CAS RN2114407-82-6
Molecular formulaC8H14O3S2
Molecular weight222.3 g/mol
IUPAC name5-((2S)-2-oxido-1,2-dithiolan-3-yl)pentanoic acid
InChIKeyNTBXHTYZOVLARS-GRSHUZJTSA-N

02Structure identifiers

2D structurePubChem CID 175674270
2D structure: alpha Lipoic Acid Impurity E, CAS 2114407-82-6
Structure of alpha Lipoic Acid Impurity E (CAS 2114407-82-6). LazyChem record. Source identity: PubChem CID 175674270. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC8H14O3S2
InChIKeyNTBXHTYZOVLARS-GRSHUZJTSA-N
Ring count1
Defined stereocentres1
Unassigned stereocentres1
SMILESC1CS[S@](=O)C1CCCCC(=O)O
InChIInChI=1S/C8H14O3S2/c9-8(10)4-2-1-3-7-5-6-12-13(7)11/h7H,1-6H2,(H,9,10)/t7?,13-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2114407-82-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2114407-82-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Thioctic Acid/Lipoic Acid

View API and impurity family

Other names

  • Thioctic Acid Impurity 10

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources