Tiagabine Hydrochloride
Grundinformationen
- CAS
145821-59-6- Standard-SMILES
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl- InChIKey
YUKARLAABCGMCN-PKLMIRHRSA-N- Summenformel
- C20H26ClNO2S2
- Durchschnittliche Molmasse
- 412 g/mol
- Monoisotopische Masse
- 411,1093491
Überblick
Tiagabine hydrochloride is a hydrochloride resulting from the reaction of equimolar amounts of tiagabine and hydrogen chloride. A GABA reuptake inhibitor, it is used for the treatment of epilepsy. It has a role as an anticonvulsant and a GABA reuptake inhibitor. It contains a tiagabine(1+).
Namen und Bezeichner
- Bevorzugter Name
- Tiagabine Hydrochloride
- IUPAC
- (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
- Englischer Name
- Tiagabine hydrochloride
- Summenformel
- C20H26ClNO2S2
- Molmasse
- 412.01
Namen und Synonyme
Tiagabine hydrochloride145821-59-6TIAGABINE HClGabatrilAbbott-70569.1NNC-05-0328NO-05-0328ABT-569ABBOTT-70569.HCLDTXSID2044218DQH6T6D8OYABBOTT-70569 HYDROCHLORIDE
Weitere Namen anzeigen
GABITRILCS-1356TGB hydrochlorideNO328 hydrochlorideTiagabine, NO 050328Tiagabine ethyl esteriagabinehydrochlorideNO050328 hydrochlorideGabitril hydrochloride
ABBOTT-705691NNC-050328(-)-(R)-1-(4,4-Bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid, hydrochlorideNO-050328DTXCID0024218CHEBI:85388(R)-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-3-piperidinecarboxylic acid, hydrochlorideRefChem:56680
Datenbank-Bezeichner
- CAS
145821-59-6- PubChem CID
- 91274
- DTXSID
DTXSID2044218- ChEMBL
CHEMBL1695
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 97 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 474
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anticonvulsants; GABA Agents; Neurotransmitter Uptake Inhibitors; Neuroprotective Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 oC · >192oC dec.
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: soluble10mg/mL, clear
- pka
- 1 · pKa1 3.3; pKa2 9.4(at 25℃)
- Aggregatzustand
- powder
- Farbe
- white to beige
- Wasserlöslichkeit
- water: soluble
- Merck
- 14 · 14,9417
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO, ethanol, or distilled water may be stored at -20° for up to 3 months.
- InChI
- InChI=1/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-;/s3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Tiagabine hydrochloride
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 2934.99.3000
- RTECS-Nr.
- TM6128245
- risk_code
- 20/21/22-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 36/37-45-16-7
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
TIAGABINE HYDROCHLORIDE
Anti-epileptic Agent [EPC]; Decreased Central Nervous System Disorganized Electrical Activity [PE]
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Compounds that suppress or block the plasma membrane transport of GAMMA-AMINOBUTYRIC ACID by GABA PLASMA MEMBRANE TRANSPORT PROTEINS.
Anwendungen
VerwendenTiagabine Hydrochloride is a GABA uptake inhibitor and an anticonvulsant (1,2,3). It is used to treat epilepsy, anxiety disorders, and panic disorder. Neuroprotective & Neuroresearch Product.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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