Thalidomide-d4 - ≥98 atom% D,≥98% , CAS No.1219177-18-0

CAS: 1219177-18-0 Cat. No.: T357985 Fórmula: C₁₃H₆D₄N₂O₄ Peso molecular: 262.25

CALIDAD & PUREZA ≥98 atom% D,≥98%

Synonyms

(±)-2-(2,6-Dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione | 2-Phthalimidoglutarimide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

A labeled Thalidomide, which inhibits FGF-induced angiogenesis. Inhibits the replication of human immunodeficiency virus type 1. A Teratogenic sedative.

Especificaciones

Sinónimos

(±)-2-(2,6-Dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione | 2-Phthalimidoglutarimide

Especificaciones y pureza

≥98 atom% D,≥98%

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

≥98 atom% D,≥98%

Nombres e identificadores

Pubchem Sid

528772861

Sonrisas canónicas

C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O

IUPAC Name

4,5,6,7-tetradeuterio-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

InChIKey

UEJJHQNACJXSKW-RHQRLBAQSA-N

INCHI

1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/i1D,2D,3D,4D

Isómeros SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=O)N(C2=O)C3CCC(=O)NC3=O)[2H])[2H]

CAS alternativo

50-35-1（unlabelled）

Peso molecular

262.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams N-substituted carboxylic acid imides Benzenoids N-unsubstituted carboxylic acid imides Dicarboximides Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Delta-lactam - Piperidinone - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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: Soluble in DMSO
• Punto de fusión (°C): 272-274℃ (lit.)
• Peso molecular: 262.250 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 262.089 Da
• Monoisotopic Mass: 262.089 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 449.000
• Isotope Atom Count: 4
• 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