metoclopramide hydrochloride - 10mM in DMSO , Serotonin 4 (5-HT4) receptor agonist, CAS No.54143-57-6, Serotonin 4 (5-HT4) receptor agonist

CAS: 54143-57-6 Cat. No.: M424624 Fórmula: C₁₄H₂₅Cl₂N₃O₃ Peso molecular: 354.27 Número EC: 641-713-2 PubChem CID: 441347

GRADE & PURITY 10mM in DMSO

Synonyms

54143-57-6|Reglan|metoclopramide hydrochloride hydrate|metoclopramide hcl monohydrate|Metoclopramide hydrochloride monohydrate|Maxolon|metipamid|AHR-3070-C|Metoclopramide monohydrochloride monohydrate|Metoclopramide (hydrochloride hydrate)|Metozolv|CHEBI:

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

54143-57-6 | Reglan | metoclopramide hydrochloride hydrate | metoclopramide hcl monohydrate | Metoclopramide hydrochloride monohydrate | Maxolon | metipamid | AHR-3070-C | Metoclopramide monohydrochloride monohydrate | Metoclopramide (hydrochloride hydrate) | Metozolv | CHEBI:

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

ANTAGONIST

Mecanismo de acción

Serotonin 4 (5-HT4) receptor agonist

Nombres e identificadores

• Pubchem Sid: 528773881
• Sonrisas canónicas: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl
• IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride
• InChIKey: KJBLQGHJOCAOJP-UHFFFAOYSA-N
• INCHI: 1S/C14H22ClN3O2.ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H;1H2
• Isómeros SMILES: CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl
• PubChem CID: 441347
• Peso molecular: 354.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: 3-halobenzoic acids and derivatives Aminophenyl ethers Methoxyanilines Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Hydrochloride - Organic oxygen compound - Organic oxide - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
• External Descriptors: hydrate - hydrochloride

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

• Punto de inflamación (°C): 207°C
• Punto de ebullición (°C): 418.7°C
• Peso molecular: 354.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 353.127 Da
• Monoisotopic Mass: 353.127 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 300.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

XLogP3