Methyldopate hydrochloride , Adrenergic receptor alpha-2 agonist, CAS No.2508-79-4, Adrenergic receptor alpha-2 agonist

CAS: 2508-79-4 Cat. No.: M670925 Fórmula: C₁₂H₁₈ClNO₄ Peso molecular: 275.73 PubChem CID: 17276

Synonyms

METHYLDOPATE HYDROCHLORIDE | METHYLDOPATE HYDROCHLORIDE (USP-RS) | L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl ester hydrochloride | CCG-221038 | EINECS 219-720-3 | CHEMBL1200432 | Methyldopa ethyl hydrochloride | METHYLDOPATE HYDROCHLORIDE [ORANGE BO

Storage

Room temperature

Especificaciones

Sinónimos

METHYLDOPATE HYDROCHLORIDE | METHYLDOPATE HYDROCHLORIDE (USP-RS) | L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl ester hydrochloride | CCG-221038 | EINECS 219-720-3 | CHEMBL1200432 | Methyldopa ethyl hydrochloride | METHYLDOPATE HYDROCHLORIDE [ORANGE BO

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

AGONIST

Mecanismo de acción

Adrenergic receptor alpha-2 agonist

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C(C)(CC1=CC(=C(C=C1)O)O)N.Cl

IUPAC Name

ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride

InChIKey

QSRVZCCJDKYRRF-YDALLXLXSA-N

INCHI

1S/C12H17NO4.ClH/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8;/h4-6,14-15H,3,7,13H2,1-2H3;1H/t12-;/m0./s1

Isómeros SMILES

CCOC(=O)[C@](C)(CC1=CC(=C(C=C1)O)O)N.Cl

PubChem CID

17276

Peso molecular

275.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Alpha amino acids and derivatives Phenylpropanes Catechols Fatty acid esters Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Fatty acid ester - Phenol - Fatty acyl - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 275.730 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 275.092 Da
• Monoisotopic Mass: 275.092 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 271.000
• 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

XLogP3

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2508-79-4, the molecular formula is C12H18ClNO4, and the molecular weight is 275.73 g/mol. InChIKey QSRVZCCJDKYRRF-YDALLXLXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.