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Thalidomide-d4 , CAS No.1219177-18-0
Basic Description
Synonyms
(±)-2-(2,6-Dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione | 2-Phthalimidoglutarimide
Specifications & Purity
≥98 atom% D,≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
A labeled Thalidomide, which inhibits FGF-induced angiogenesis. Inhibits the replication of human immunodeficiency virus type 1. A Teratogenic sedative.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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
Description
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.
Names and Identifiers
IUPAC Name
4,5,6,7-tetradeuterio-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
INCHI
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
InChIKey
UEJJHQNACJXSKW-RHQRLBAQSA-N
Smiles
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
Isomeric SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=O)N(C2=O)C3CCC(=O)NC3=O)[2H])[2H]
Alternate CAS
50-35-1（unlabelled）
Molecular Weight
262.25
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO
Melt Point(°C)
272-274℃ (lit.)
Molecular Weight
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
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F2525638