Tiagabine hydrochloride monohydrate

CAS Registry Number®

145821-57-4
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CAS Name

Tiagabine hydrochloride monohydrate

Molecular Formula

C20H25NO2S2.ClH.H2O

Cite this Page

Tiagabine hydrochloride monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145821-57-4 (retrieved 2024-06-25) (CAS RN: 145821-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H25NO2S2.ClH.H2O/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);1H;1H2/t16-;;/m1../s1

InChIKey

InChIKey=KOZCGZMZXXVHCF-GGMCWBHBSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-buten-1-yl]-, hydrochloride, hydrate (1:1:1), (3R)-
  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]-, hydrochloride, monohydrate, (R)-
  • 3-Piperidinecarboxylic acid, 1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]-, hydrochloride, monohydrate, (3R)-
  • Tiagabine hydrochloride monohydrate

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