Vorinostat

C₁₄H₂₀N₂O₃CAS 149647-78-9264.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₀N₂O₃
Molar mass: 264.32 g/mol
Exact mass: 264.1474 Da
Melting point: 159–160.5 °C
pKa: 9.2
logP: 3.96Crippen estimate
Polar surface area: 85.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 8

Hazards

Danger

H302 Harmful if swallowed58.3% of notifiers
H341 Suspected of causing genetic defects99.1% of notifiers
H360 May damage fertility or the unborn child73.1% of notifiers
H360FD May damage fertility; May damage the unborn child25.9% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure59.3% of notifiers
H400 Very toxic to aquatic life60.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects58.3% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

149647-78-9

SMILES

ON=C(O)CCCCCCC(O)=Nc1ccccc1

InChIKey

WAEXFXRVDQXREF-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

Weigh it out

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

Names and synonyms

9 names

Octanediamide, N1-hydroxy-N8-phenyl-
Octanediamide, N-hydroxy-N′-phenyl-
N1-Hydroxy-N8-phenyloctanediamide
SAHA
Suberoylanilide hydroxamic acid
Zolinza
N-Hydroxy-N′-phenyloctanediamide
Suberoyl anilide bishydroxamide
WT 171

Work with Vorinostat

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

Chloroacetanilide587-65-550 % similar Octanohydroxamic acid7377-03-950 % similar Acetoacetanilide102-01-245 % similar β-Oxo-N-phenylbenzenepropanamide959-66-045 % similar N-(Phenylmethyl)hexadecanamide74058-71-243 % similar CDA 663245-38-540 % similar Adrafinil63547-13-740 % similar Benzyl N-hydroxycarbamate3426-71-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propacetamol66532-85-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook