Arbaclofen
Grundinformationen
- CAS
69308-37-8- Standard-SMILES
NC[C@H](CC(=O)O)c1ccc(Cl)cc1- InChIKey
KPYSYYIEGFHWSV-QMMMGPOBSA-N- Summenformel
- C10H12ClNO2
- Durchschnittliche Molmasse
- 213,66 g/mol
- Monoisotopische Masse
- 213,0556563
Überblick
Arbaclofen is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
Namen und Bezeichner
- Bevorzugter Name
- Arbaclofen
- IUPAC
- (3R)-4-amino-3-(4-chlorophenyl)butanoic acid
- Englischer Name
- (R)-Baclofen
- Summenformel
- C10H12ClNO2
- Molmasse
- 213.66
Namen und Synonyme
(R)-BaclofenArbaclofen69308-37-8(R)-4-Amino-3-(4-chlorophenyl)butanoic acidd-Baclofen(-)-Baclofen(R)-(-)-BaclofenR-(-)-Baclofen(3R)-4-amino-3-(4-chlorophenyl)butanoic acidSTX209Baclofen, r-Arbaclofen [USAN]
Weitere Namen anzeigen
l-Baclofen(R)-baclofen (STX209)(R)-Baclofen USP/EP/BPR-(+)-Baclofen (free base)
Baclofen, (r)-Baclofen, r(-)-ArbaclofeneArbaclofenoSTX 209STX-209Arbaclofen [USAN:INN]NYU6UTW25B
Datenbank-Bezeichner
- CAS
69308-37-8- PubChem CID
- 44602
- DTXSID
DTXSID90219366- ChEMBL
CHEMBL301742- ChEBI
CHEBI:190735- UNII
- NYU6UTW25B
- EC Number
- 641-399-7
- Nikkaji
- J374.504J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 191
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point206-208 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 · 171-174°C
- Siedepunkt
- 364.3 · 364.3±32.0 °C(Predicted)
- Dichte
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Wasserlöslichkeit
- Practically insoluble in water
- Löslichkeit
- Methanol (Slightly, Sonicated), Water (Slightly, Sonicated)
- Aggregatzustand
- powder to crystaline
- pka
- 4.04 · 4.04±0.10(Predicted)
- Farbe
- White to Almost white
- InChI
- 1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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
Danger
H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (25%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 2811
- hs_code
- 2922.49.2600
- RTECS-Nr.
- DA8339450
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
Mechanism of ActionArbaclofen, or R-baclofen, acts upstream of the mGluR5 receptor to increase inhibitory neurotransmission. It is the isomer of baclofen which harbors antispastic activity.
Absorption, Distribution and Excretion
Unlike baclofen, absorption of arbaclofen is not limited to the upper small intestine. Arbaclofen can also be absorbed in the lower small intestine and the colon, allowing for the development of sustained release formulations.
>80% of R-baclofen is renally eliminated unchanged.
Blood clearance of an IV bolus of R-baclofen in rats, monkeys, and dogs, resulted in a half life of 1.6-3.4hours, in one study. Total blood clearance was reported to be 0.51±0.13L/h/kg in rats, 0.31±0.11L/h/kg in monkeys, and 0.24±0.01L/h/kg in dogs. (2)
Anwendungen
Verwenden(R)-baclofen is a derivative of gamma-aminobutyric acid primarily used to treat spasticity.
Anbieter103 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
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