Flecainide acetate

C₁₉H₂₄F₆N₂O₅CAS 54143-56-5474.40 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₁₉H₂₄F₆N₂O₅
Molar mass: 474.40 g/mol
Exact mass: 474.1589 Da
Melting point: 145–147 °C
logP: 4.11Crippen estimate
Polar surface area: 100.4 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H360 May damage fertility or the unborn child93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, 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

54143-56-5

SMILES

CC(=O)O.OC(=NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

InChIKey

RKXNZRPQSOPPRN-UHFFFAOYSA-N

InChI

InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)

Weigh it out

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

Names and synonyms

10 names

Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, acetate (1:1)
Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, monoacetate
R 818
(±)-Flecainide acetate
Tambocor
2,5-Bis(2,2,2-trifluoroethoxy)-N-(2-piperidylmethyl)benzamide acetate
Apocard
Ecrinal
Almarytm
R 818 (Pharmaceutical)

Work with Flecainide acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Flecainide54143-55-4Free base Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-547 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid hydrazide50778-75-143 % similar 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-635 % similar 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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