Lenalidomide-C5-NH2 , CAS No.2093388-45-3

CAS: 2093388-45-3 Cat. No.: L1268786 PubChem CID: 131986886

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)CCCCCN
• IUPAC Name: 3-[7-(5-aminopentyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• InChIKey: ZZXXBKHLDNFHCQ-UHFFFAOYSA-N
• INCHI: 1S/C18H23N3O3/c19-10-3-1-2-5-12-6-4-7-13-14(12)11-21(18(13)24)15-8-9-16(22)20-17(15)23/h4,6-7,15H,1-3,5,8-11,19H2,(H,20,22,23)
• PubChem CID: 131986886

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Alpha amino acids and derivatives Piperidinediones Delta lactams N-acyl amines Benzenoids Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Alpha-amino acid or derivatives - Piperidinedione - Piperidinone - Delta-lactam - Benzenoid - Piperidine - N-acyl-amine - Tertiary carboxylic acid amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

• Peso molecular: 329.400 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 329.174 Da
• Monoisotopic Mass: 329.174 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 508.000
• 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