Tiagabine | CAS No. 115103-54-3

Tiagabine

Basic Information

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CAS Number

115103-54-3

Molecular Formula

C20H25NO2S2

Molecular Weight

375.56 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

Basic Physical Properties

Melting Point

192oC dec.

Boiling Point

568°C at 760 mmHg

SMILES

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

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

PBJUNZJWGZTSKL-MRXNPFEDSA-N

LogP

5.044840000000004

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

GTPL4685
Tiagabine [INN:BAN]
1-[4,4-Bis-(3-methyl-4,5-dihydro-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid
HY-B0696
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid
BDBM50039251
D08588
DTXCID503663
DTXSID5023663
Tiagabinum [INN-Latin]
Gabatril
NCGC00164626-01
N03AG06
HSDB 7527
TIAGABINE [WHO-DD]
C07503
Gabitril
NO 050328
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
(R)-(-)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid
1006863-69-9
(R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid
NO 328
Gabitril (TN)
1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride
Tiagabina
BDBM50368628
(3R)-1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLIC ACID
AC-7048

MDL Number

MFCD00865317

FAQ

What is Tiagabine (CAS: 115103-54-3)?

Tiagabine is a selective GABA transaminase inhibitor, used as an anticonvulsant in the treatment of epilepsy. It has a chemical formula of C14H18N2O2. Tiagabine is known for its ability to increase GABA levels in the brain, which is crucial for inhibiting neuronal excitability and preventing seizures.

What are the main uses of Tiagabine (CAS: 115103-54-3)?

Tiagabine is primarily used as an anticonvulsant to treat partial seizures in epileptic patients. It can be administered orally and is often used in combination with other anticonvulsant drugs to better control seizures.

Is Tiagabine (CAS: 115103-54-3) safe?

Tiagabine can be considered safe when used under medical supervision. However, it requires close monitoring due to potential side effects such as dizziness, headache, and emotional changes. Patients should avoid operating heavy machinery and driving until they are aware of their response to the medication. Protective measures include wearing gloves and eye protection during handling.

How should Tiagabine (CAS: 115103-54-3) be stored?

Tiagabine should be stored in a tightly closed container at room temperature (15-30°C) and away from direct sunlight. It should be kept in a cool, dry place to prevent degradation. Avoid storing it in high humidity or near heat sources. The container should be child-proof to prevent accidental ingestion.