Ciclopirox olamine

C₁₄H₂₄N₂O₃CAS 41621-49-2268.36 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₁₄H₂₄N₂O₃
Molar mass: 268.36 g/mol
Exact mass: 268.1787 Da
logP: 1.38Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation43.8% of notifiers
H317 May cause an allergic skin reaction10.7% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H335 May cause respiratory irritation42% of notifiers
H400 Very toxic to aquatic life56.2% of notifiers

Aggregated from 112 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

41621-49-2

SMILES

Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO

InChIKey

MBRHNTMUYWQHMR-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2

Weigh it out

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

Names and synonyms

16 names · show all

Mycoster
Loprox
Batrafen
2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compd. with 2-aminoethanol (1:1)
Brumixol
Micoxolamina
Terit
Ciclochem
NSC 336278
Ciclopirox ethanolamine (1:1)
Sebiprox
Fungowas
Selergo
Ethanol, 2-amino-, compd. with 6-cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone (1:1)
HOE 296
1-Hydroxy-4-methyl-6-cyclohexyl-2-pyridinone ethanolamine salt

Work with Ciclopirox olamine

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

Ciclopirox29342-05-078 % similar Piroctone olamine68890-66-452 % similar 2,2′-Methylenebis(4-methyl-6-cyclohexylphenol)4066-02-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook