Alagebrium chloride

C₁₃H₁₄ClNOSCAS 341028-37-3267.77 g/mol

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Ketone

Properties

Molecular formula: C₁₃H₁₄ClNOS
Molar mass: 267.77 g/mol
Exact mass: 267.0485 Da
logP: -0.46Crippen estimate
Polar surface area: 20.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

341028-37-3

SMILES

Cc1sc[n+](CC(=O)c2ccccc2)c1C.[Cl-]

InChIKey

MKOMESMZHZNBIZ-UHFFFAOYSA-M

InChI

InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

3 names

Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chloride (1:1)
Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chloride
ALT 711

Work with Alagebrium chloride

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

Butyrophenone495-40-940 % similar Phenacylpyridinium bromide16883-69-539 % similar Propiophenone93-55-038 % similar Dibenzoylmethane120-46-738 % similar 1,4-Diphenyl-1,4-butanedione495-71-638 % similar 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride4568-71-237 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-036 % similar 2-Aminoacetophenone613-89-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook