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

CAS: 1219177-18-0 Cat. No.: T357985 分子式: C₁₃H₆D₄N₂O₄ 分子量: 262.25

グレード＆純度 ≥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

概要

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

仕様

同義語

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

仕様と純度

≥98 atom% D,≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98 atom% D,≥98%

名前と識別子

パブケム・シド

528772861

カノニカル・スマイル

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

異性体SMILES

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

代替CAS番号

50-35-1（unlabelled）

分子量

262.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO
• 融点（°C）: 272-274℃ (lit.)
• 分子量: 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