MM 77 dihydrochloride - ≥98% , CAS No.159187-70-9

CAS: 159187-70-9 Cat. No.: M286674 Peso molecular: 418.36 PubChem CID: 45073441

GRADE & PURITY ≥98%

Synonyms

SR-01000597968 | 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione;dihydrochloride | AKOS024458704 | 1-(2-METHOXYPHENYL)-4-(4-SUCCINIMIDOBUTYL)PIPERAZINE DIHYDROCHLORIDE | 2,5-Pyrrolidinedione,1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]buty

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SR-01000597968 | 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2, 5-dione;dihydrochloride | AKOS024458704 | 1-(2-METHOXYPHENYL)-4-(4-SUCCINIMIDOBUTYL)PIPERAZINE DIHYDROCHLORIDE | 2, 5-Pyrrolidinedione, 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]buty

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

A highly potent and fairly selective 5-HT1Aligand, which may be a full antagonist at postsynaptic receptors.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770534
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770534
• Sonrisas canónicas: COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O.Cl.Cl
• IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione;dihydrochloride
• InChIKey: ZYCVVOZXHNDRCO-UHFFFAOYSA-N
• INCHI: 1S/C19H27N3O3.2ClH/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24;;/h2-3,6-7H,4-5,8-15H2,1H3;2*1H
• Isómeros SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O.Cl.Cl
• PubChem CID: 45073441
• Peso molecular: 418.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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: Solvent:DMSO, Max Conc. mg/mL: 31.38, Max Conc. mM: 75
• Peso molecular: 418.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 417.159 Da
• Monoisotopic Mass: 417.159 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 447.000
• 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