Ranolazine

C₂₄H₃₃N₃O₄CAS 95635-55-5427.55 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₂₄H₃₃N₃O₄
Molar mass: 427.55 g/mol
Exact mass: 427.2471 Da
logP: 2.96Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 9

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation25% of notifiers
H336 May cause drowsiness or dizziness25% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure16.7% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

95635-55-5

SMILES

COc1ccccc1OCC(O)CN1CCN(CC(O)=Nc2c(C)cccc2C)CC1

InChIKey

XKLMZUWKNUAPSZ-UHFFFAOYSA-N

InChI

InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)

Weigh it out

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

Names and synonyms

9 names

1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-
1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-, (±)-
N-(2,6-Dimethylphenyl)-4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazineacetamide
(±)-Ranolazine
CVT 303
Ranexa
RS 43285-003
Renexa
4-(Pyrimidin-2-ylmethyl)-7-(4-(trifluoromethyl)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one

Work with Ranolazine

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.

Ranolazine-D31054624-77-9Labelled Ranolazine hydrochloride95635-56-6Salt

Similar compounds

Naftopidil57149-07-249 % similar 4-[(2,6-Dimethylphenyl)aminocarbonylmethyl]piperazine5294-61-149 % similar Naftopidil dihydrochloride57149-08-347 % similar Lidocaine137-58-646 % similar Guaifenesin93-14-145 % similar Methocarbamol532-03-644 % similar Lidocaine hydrochloride73-78-944 % similar (±)-Mephenesin59-47-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook