Chemical identity

Tiagabine Related Compound A/ (R)-Tiagabine 4-Carboxy-O-ethyl (HCl Salt)

CAS 145821-60-9 · C22H30ClNO2S2

01Identity

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

Lazychem IDLC-29520
PubChem CID73504622
NameTiagabine Related Compound A/ (R)-Tiagabine 4-Carboxy-O-ethyl (HCl Salt)
CAS RN145821-60-9
Molecular formulaC22H30ClNO2S2
Molecular weight440.06 g/mol
IUPAC name(R)-Ethyl-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]-3-piperidinecarboxylate hydrochloride
InChIKeyOMDTXVBMKZQQCF-GMUIIQOCSA-N

02Structure identifiers

2D structurePubChem CID 73504622
Two-dimensional chemical structure of Tiagabine Related Compound A/ (R)-Tiagabine 4-Carboxy-O-ethyl (HCl Salt), CAS 145821-60-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCCOC(=O)[C@@H]1CCCN(C1)CCC=C(C2=C(C=CS2)C)C3=C(C=CS3)C.Cl
InChINot listed
Formula from structureC22H30ClNO2S2
Molecular weight from structure440.06 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNO EXACT MATCH FOUNDCAS 145821-60-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 145821-60-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Tiagabine

View API and impurity family

Other names

  • Tiagabine Related Compound A(HCl Salt)
  • (R)-Tiagabine 4-Carboxy-O-ethyl (HCl Salt)
  • Ethyl (3R)-1-[4, 4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidin-1-ium-3-carboxylate
  • chloride
  • (3R)-1-[4, 4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-piperidinecarboxylic acid ethyl ester hydrochloride (1:1)
  • (R)-1-[4, 4-bis(3-Methyl-2-thienyl)-3-butenyl]-3-piperidinecarboxylic Acid Ethyl Ester, Hydrochloride

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