Rosiglitazone hydrochloride

C₁₈H₂₀ClN₃O₃SCAS 302543-62-0393.89 g/mol

Open in Covalent MOL file

Amide Ether Lactam Sulfide Tertiary 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 Å²
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. Search the SDS library

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

Weigh it out

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

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

2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-435 % similar Pioglitazone hydrochloride112529-15-435 % similar Pyrilamine maleate59-33-633 % similar Tripelennamine hydrochloride154-69-832 % similar Chloropyramine hydrochloride6170-42-932 % similar Pioglitazone111025-46-831 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-231 % similar H-Tyr(bzl)-OMe.HCl34805-17-931 % similar

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

Elsewhere

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