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

Alkene Carboxylic acid Ether Sulfide Tertiary 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 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation20% of notifiers
H361 Suspected of damaging fertility or the unborn child40% of notifiers
H411 Toxic to aquatic life with long lasting effects60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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-

Weigh it out

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

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

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.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Rosiglitazone122320-73-4Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

Pioglitazone111025-46-852 % similar Pioglitazone hydrochloride112529-15-450 % 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 2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-435 % similar 3-(4-Propoxyphenyl)acrylic acid69033-81-432 % similar 4-Ethoxycinnamic acid2373-79-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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