MedKoo Cat#: 463567 | Name: Tiagabine-d6 hydrochloride
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Tiagabine-d6 is intended for use as an internal standard for the quantification of tiagabine by GC- or LC-MS. Tiagabine is an inhibitor of GABA transporter 1. It inhibits seizures induced by DMCM in mice. Tiagabine reduces allodynia in a rodent model of neuropathic pain when used at a dose of 72.8 µmol/kg, and it acts synergistically with gabapentin to delay pain responses in mice in the hot plate test. Formulations containing tiagabine have been used as adjunctive therapies in the treatment of partial seizures.

Chemical Structure

Tiagabine-d6 hydrochloride
Tiagabine-d6 hydrochloride
CAS#1217808-68-8 (hydrochloride)

Theoretical Analysis

MedKoo Cat#: 463567

Name: Tiagabine-d6 hydrochloride

CAS#: 1217808-68-8 (hydrochloride)

Chemical Formula: C20H20D6ClNO2S2

Exact Mass: 417.1470

Molecular Weight: 418.04

Elemental Analysis: C, 57.46; H, 7.71; Cl, 8.48; N, 3.35; O, 7.65; S, 15.34

Price and Availability

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1mg USD 500.00 2 Weeks
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Related CAS #
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Synonym
Tiagabine-d6 hydrochloride; Tiagabine d6 hydrochloride;
IUPAC/Chemical Name
(R)-1-(4,4-bis(3-(methyl-d3)thiophen-2-yl)but-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
InChi Key
YUKARLAABCGMCN-OUCKJYDLSA-N
InChi Code
InChI=1S/C20H25NO2S2.ClH/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/t16-;/m1./s1/i1D3,2D3;
SMILES Code
OC([C@@H]1CCCN(C1)CC/C=C(C2=C(C=CS2)C([2H])([2H])[2H])/C3=C(C=CS3)C([2H])([2H])[2H])=O.Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 418.04 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL