Ciclopirox

C₁₂H₁₇NO₂CAS 29342-05-0207.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇NO₂
Molar mass: 207.27 g/mol
Exact mass: 207.1259 Da
Melting point: 144 °C
logP: 2.44Crippen estimate
Polar surface area: 42.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled32.6% of notifiers
H302 Harmful if swallowed93.3% of notifiers
H312 Harmful in contact with skin91% of notifiers
H319 Causes serious eye irritation96.6% of notifiers
H332 Harmful if inhaled91% of notifiers

Aggregated from 89 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+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

29342-05-0

SMILES

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

InChIKey

SCKYRAXSEDYPSA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-
2(1H)-Pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-
6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone
HOE 296b
Penlac
1-Hydroxy-4-methyl-6-cyclohexyl-2-pyridinone
Ciclopoli

Work with Ciclopirox

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.

Ciclopirox olamine41621-49-2Salt

Similar compounds

2,2′-Methylenebis(4-methyl-6-cyclohexylphenol)4066-02-838 % similar 2-Cyclohexyl-5-methylphenol1596-13-036 % similar Piroctone olamine68890-66-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-[4-(dimethylamino)phenyl]acetate17078-29-4 N-Ethyl-N-phenyl-β-alanine methyl ester21608-06-0 4-(Ethyl(2-hydroxyethyl)amino)-o-tolualdehyde21850-52-2 N-(Phenylmethyl)-β-alanine ethyl ester23583-21-3 Hexyl nicotinate23597-82-2 Promecarb2631-37-0 Fenobucarb3766-81-2 4-(Phenylmethyl)-2-morpholinemethanol40987-24-4

Elsewhere

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