Tiagabine

CAS Registry Number®

115103-54-3
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CAS Name

Tiagabine

Molecular Formula

C20H25NO2S2

Molecular Mass

375.55

Cite this Page

Tiagabine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=115103-54-3 (retrieved 2024-04-19) (CAS RN: 115103-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1

InChIKey

InChIKey=PBJUNZJWGZTSKL-MRXNPFEDSA-N

SMILES

C(=CCCN1C[C@H](C(O)=O)CCC1)(C2=C(C)C=CS2)C3=C(C)C=CS3

Canonical SMILES

O=C(O)C1CN(CCC=C(C=2SC=CC2C)C=3SC=CC3C)CCC1

Other Names for this Substance

  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, (3R)-
  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]-, (R)-
  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]-, (3R)-
  • (3R)-1-[4,4-Bis(3-methyl-2-thienyl)-3-buten-1-yl]-3-piperidinecarboxylic acid
  • NO 328

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