Tiagabine hydrochloride

Basic Information

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CAS Number

145821-59-6

Molecular Formula

C20H26ClNO2S2

Molecular Weight

412.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

189.0 to 194.0 deg-C

Boiling Point

568°C at 760 mmHg

Flash Point

9℃

Solubility

H2O: soluble10mg/mL, clear

Specific Rotation

-5° to -10° (c=1, H2O)

SMILES

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CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C.Cl

InChI

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

InChIKey

YUKARLAABCGMCN-PKLMIRHRSA-N

LogP

5.466640000000005

pKa

pKa1 3.3; pKa2 9.4(at 25℃)

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

474

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(3R)-1-(4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl)piperidine-3-carboxylic acid monohydrochloride
EN300-221591
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride
(-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid hydrochloride
HB0978
Abbott 70569.HCl
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-buten-yl)-, hydrochloride, (R)-
Tiagabine hydrochloride
DTXCID0024218
NCGC00164626-01
(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid hydrochloride
CAS-145821-59-6
TIAGABINE HYDROCHLORIDE (MART.)
TIAGABINE HCl
Gabitril
DTXSID2044218
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride
Tox21_112245_1
Z2196311163
NO-050328
Tiabex
ABBOTT-70569.HCL
Gabitril (TN)
TIAGABINE HYDROCHLORIDE [MI]
A-70569
(3R)-1-(4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl)-3-carboxypiperidinium chloride
3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-, hydrochloride, (R)-
NNC-05-0328
TIAGABINE HYDROCHLORIDE [WHO-DD]
NCGC00164626-02
D02097

MDL Number

MFCD07369025

FAQ

What is Tiagabine hydrochloride (CAS: 145821-59-6)?

Tiagabine hydrochloride is a derivative of tiagabine, used as a salt form that enhances its solubility and bioavailability. It is a white crystalline powder with a molecular formula of C19H21N3O2·HCl. Tiagabine hydrochloride is used primarily as an anticonvulsant in the treatment of epilepsy.

What are the main uses of Tiagabine hydrochloride (CAS: 145821-59-6)?

Tiagabine hydrochloride is mainly used as an anticonvulsant in the treatment of epilepsy. It specifically targets partial seizures and is often considered for patients who do not respond well to other anticonvulsant medications.

Is Tiagabine hydrochloride (CAS: 145821-59-6) safe?

Tiagabine hydrochloride is generally considered safe when used under medical supervision. However, it requires careful monitoring due to the risk of side effects such as drowsiness, dizziness, and gastrointestinal issues. Patients should adhere to prescribed dosage and regular check-ups.

How should Tiagabine hydrochloride (CAS: 145821-59-6) be stored?

Tiagabine hydrochloride should be stored in a cool, dry place, away from direct sunlight and moisture. The recommended storage temperature is between 15°C and 30°C. It should be kept in an airtight container and protected from light to maintain its stability and efficacy.