R-(+)-Baclofen hydrochloride - ≥98% , CAS No.63701-55-3

CAS: 63701-55-3 Cat. No.: R275834 Peso molecular: 250.12 Número EC: 814-722-6 PubChem CID: 44601

GRADE & PURITY ≥98%

Synonyms

BACLOFEN HYDROCHLORIDE, R- | EN300-10006902 | BACLOFEN HYDROCHLORIDE, (R)- | STX 209 hydrochloride | Benzenepropanoicacid,b-(aminomethyl)-4-chloro-,hydrochloride(1:1),(br)- | (+)-Baclofen hydrochloride | UNII-8703929ITD | (R)-Baclofen monohydrochloride |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinónimos

BACLOFEN HYDROCHLORIDE, R- | EN300-10006902 | BACLOFEN HYDROCHLORIDE, (R)- | STX 209 hydrochloride | Benzenepropanoicacid, b-(aminomethyl)-4-chloro-, hydrochloride(1:1), (br)- | (+)-Baclofen hydrochloride | UNII-8703929ITD | (R)-Baclofen monohydrochloride |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective GABA B receptor agonist. Baclofen enantiomer. Acts upstream of the mGluR5 receptor to increase inhibitory neurotransmission. Shows antinociceptive and muscle relaxant effects in vivo . Orally active.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(CC(=O)O)CN)Cl.Cl
• IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
• InChIKey: WMNUVYYLMCMHLU-QRPNPIFTSA-N
• INCHI: 1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m0./s1
• Isómeros SMILES: C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl.Cl
• PubChem CID: 44601
• Peso molecular: 250.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Phenylpropanoic acids Chlorobenzenes Aralkylamines Amino fatty acids Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - 3-phenylpropanoic-acid - Amino fatty acid - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Primary amine - Hydrochloride - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 100 mM and in DMSO to 75 mM
• Peso molecular: 250.120 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 249.032 Da
• Monoisotopic Mass: 249.032 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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