chempirical

Thalidomide

C13H10N2O4CAS 50-35-1258.23 g/mol

Open in Covalent MOL file
ONHONOO
AmideLactam

Properties

Molecular formula
C13H10N2O4
Molar mass
258.23 g/mol
Exact mass
258.0641 Da
Melting point
270 °C
logP
0.93Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
50-35-1
SMILES
O=C1N=C(O)CCC1N1C(=O)c2ccccc2C1=O
InChIKey
UEJJHQNACJXSKW-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

40 names · show all
  • 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-
  • Phthalimide, N-(2,6-dioxo-3-piperidyl)-
  • 2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione
  • K 17
  • Contergan
  • N-(2,6-Dioxo-3-piperidyl)phthalimide
  • Distaval
  • Kevadon
  • α-Phthalimidoglutarimide
  • α-(N-Phthalimido)glutarimide
  • 3-Phthalimidoglutarimide
  • N-Phthaloylglutamimide
  • α-N-Phthalylglutaramide
  • Softenon
  • Sedoval
  • Softenil
  • Quetimid
  • Talimol
  • (±)-Thalidomide
  • 1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline
  • Thalomid
  • Celgene
  • Suaramide
  • Talinol
  • Neurosedyn
  • NSC 66847
  • Sedalis
  • Pantosediv
  • NSC 527179
  • Myrin
  • Sauramide
  • Pharmion
  • Thaled
  • Synovir
  • N-(2,6-Dioxo-3-piperidinyl)phthalimide
  • Immunoprin
  • 2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione
  • 2-(2,6-Dioxopiperidin-3-yl)isoindole-1,3-dione
  • 2-(2,6-Dioxo-piperidin-3-yl)-isoindole-1,3-dione
  • 2-(2,6-Dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with Thalidomide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pomalidomide19171-19-872 % similar Lenalidomide191732-72-658 % similar 2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-256 % similar N-Phthaloyl-L-glutamic acid340-90-956 % similar N-Phthaloyl-L-glutamine3343-29-152 % similar N-Phthaloyl-(S)-phenylalanine5123-55-748 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-845 % similar N-Phthaloyl-β-alanine3339-73-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook