WAY-311636 - ≥95% , CAS No.7685-88-3

CAS: 7685-88-3 Cat. No.: W416902 Fórmula: C₁₇H₁₆N₂O₂ Peso molecular: 280.32 PubChem CID: 2835929

GRADE & PURITY ≥95%

Synonyms

3-(BENZYLAMINO)-1-PHENYLDIHYDRO-1H-PYRROLE-2,5-DIONE | 3-(benzylamino)-1-phenylpyrrolidine-2,5-dione | EU-0015086 | AB00076151-01 | AKOS017269781 | WAY-311636 | STL356112 | HMS1615L05 | DTXSID80385463 | 1-PHENYL-3-[(PHENYLMETHYL)AMINO]-2,5-PYRROLIDINEDION

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

antispasmodic activity

Specifications

Sinónimos

3-(BENZYLAMINO)-1-PHENYLDIHYDRO-1H-PYRROLE-2,5-DIONE | 3-(benzylamino)-1-phenylpyrrolidine-2,5-dione | EU-0015086 | AB00076151-01 | AKOS017269781 | WAY-311636 | STL356112 | HMS1615L05 | DTXSID80385463 | 1-PHENYL-3-[(PHENYLMETHYL)AMINO]-2,5-PYRROLIDINEDION

Especificaciones y pureza

≥95%

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.

Pureza

≥95%

Propiedades del producto

ALogP

2.063

Recuento HBD

1

Enlace rotable

4

Nombres e identificadores

Pubchem Sid

488194094

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194094

Sonrisas canónicas

C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3

IUPAC Name

3-(benzylamino)-1-phenylpyrrolidine-2,5-dione

InChIKey

RLYCOAZCWRPZHI-UHFFFAOYSA-N

INCHI

1S/C17H16N2O2/c20-16-11-15(18-12-13-7-3-1-4-8-13)17(21)19(16)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2

Isómeros SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)NCC3=CC=CC=C3

PubChem CID

2835929

Peso molecular

280.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Alpha amino acids and derivatives Phenylmethylamines Benzylamines Aralkylamines Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 280.320 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 280.121 Da
• Monoisotopic Mass: 280.121 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1