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

CAS: 1219177-18-0 Cat. No.: T357985 Summenformel: C₁₃H₆D₄N₂O₄ Molekulargewicht: 262.25

GRADE & PURITY ≥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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Pubchem Sid: 528772861
• Kanonisches Lächeln: 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
• Isomere SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=O)N(C2=O)C3CCC(=O)NC3=O)[2H])[2H]
• Alternative CAS-Nummer: 50-35-1（unlabelled）
• Molekulargewicht: 262.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines
        • Ebene5 Isoindolones
          • Ebene6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO
• Schmelzpunkt (°C): 272-274℃ (lit.)
• Molekulargewicht: 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