Rosiglitazone hydrochloride

C18H20ClN3O3SCAS 302543-62-0393.89 g/mol

Open in Covalent MOL file
NOONHOSNHCl
AmideEtherLactamSulfideTertiary amine

Properties

Molecular formula
C18H20ClN3O3S
Molar mass
393.89 g/mol
Exact mass
393.0914 Da
logP
2.91Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
302543-62-0
SMILES
CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.Cl
InChIKey
XRSCTTPDKURIIJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N3O3S.ClH/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;/h2-9,15H,10-12H2,1H3,(H,20,22,23);1H

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Work with Rosiglitazone hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Rosiglitazone122320-73-4Free base 5-[[4-[2-(N-Methyl-N-2-pyridylamino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione maleate155141-29-0Salt

Similar compounds

Pioglitazone hydrochloride112529-15-457 % similar Pioglitazone111025-46-853 % similar 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-444 % similar Troglitazone97322-87-740 % similar 2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-435 % similar Pyrilamine maleate59-33-633 % similar Tripelennamine hydrochloride154-69-832 % similar 2-Amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5H)-thiazolone105355-26-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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