chempirical

5-[[4-[2-(N-Methyl-N-2-pyridylamino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione maleate

C22H23N3O7SCAS 155141-29-0473.50 g/mol

Open in Covalent MOL file
NOSONHONOHOOOH
AlkeneCarboxylic acidEtherSulfideTertiary amine

Properties

Molecular formula
C22H23N3O7S
Molar mass
473.50 g/mol
Exact mass
473.1257 Da
logP
3.04Crippen estimate
Polar surface area
149.6 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
9

Identifiers

CAS number
155141-29-0
SMILES
CN(CCOc1ccc(CC2SC(=O)N=C2O)cc1)c1ccccn1.O=C(O)/C=CC(=O)O
InChIKey
SUFUKZSWUHZXAV-BTJKTKAUSA-N
InChI
InChI=1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-

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Names and synonyms

5 names
  • 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-, (2Z)-2-butenedioate (1:1)
  • 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-, (Z)-2-butenedioate (1:1)
  • BRL 49653C
  • Rosiglitazone maleate
  • Avandia

Work with 5-[[4-[2-(N-Methyl-N-2-pyridylamino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione maleate

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

Rosiglitazone122320-73-490 % similar Pioglitazone111025-46-852 % similar Pioglitazone hydrochloride112529-15-450 % similar Pyrilamine maleate59-33-644 % similar 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-444 % similar Troglitazone97322-87-740 % similar 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone105355-26-839 % similar Pheniramine maleate132-20-738 % similar

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

Elsewhere

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