Etoricoxib

C₁₈H₁₅ClN₂O₂SCAS 202409-33-4358.84 g/mol

Open in Covalent MOL file

Aryl halide Sulfone

Properties

Molecular formula: C₁₈H₁₅ClN₂O₂S
Molar mass: 358.84 g/mol
Exact mass: 358.0543 Da
logP: 4.18Crippen estimate
Polar surface area: 59.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed69.1% of notifiers
H310 Fatal in contact with skin43.6% of notifiers
H361d Suspected of damaging the unborn child48.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure53.2% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 94 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P318, P319, P321, P330, P361+P364, P391, P405, P501

Identifiers

CAS number

202409-33-4

SMILES

Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1

InChIKey

MNJVRJDLRVPLFE-UHFFFAOYSA-N

InChI

InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3

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Names and synonyms

15 names · show all

2,3′-Bipyridine, 5-chloro-6′-methyl-3-[4-(methylsulfonyl)phenyl]-
5-Chloro-6′-methyl-3-[4-(methylsulfonyl)phenyl]-2,3′-bipyridine
MK 663
MK 0663
Arcoxia
Torcoxia
Kingcox
Etocox
Etobrix
Etoxib
Etropain
Algix
Tauxib
Nucoxia
Etosaid

Work with Etoricoxib

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

1-Chloro-4-(methylsulfonyl)benzene98-57-747 % similar 1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone221615-75-442 % similar 5-Chloro-2-methylpyridine72093-07-341 % similar Methyl p-tolyl sulfone3185-99-735 % similar p-Tolyl methyl sulfone59203-01-935 % similar 4-Methanesulfonylbenzene-1-sulfonyl chloride82964-91-833 % similar 2-Chloro-4-(methylsulfonyl)benzenamine13244-35-432 % similar P-(Methylsulfonyl)benzyl chloride40517-43-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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