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Molecule
Flecainide Acetate
CAS: 54143-56-5 · C19H24F6N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54143-56-5
- Molecular Formula
- C19H24F6N2O5
- Molecular Mass
- 474.40 g/mol
Identifiers
CAS Registry Number
54143-56-5
SMILES
CC(=O)O.OC(=NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChI Key
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)
Names and Synonyms
- Flecainide Acetate Common Name
- Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, acetate (1:1) Synonym
- Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, monoacetate Synonym
- R 818 Synonym
- Flecainide acetate Synonym
- (±)-Flecainide acetate Synonym
- Tambocor Synonym
- 2,5-Bis(2,2,2-trifluoroethoxy)-N-(2-piperidylmethyl)benzamide acetate Synonym
- Apocard Synonym
- Ecrinal Synonym
- Almarytm Synonym
- R 818 (pharmaceutical) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.40 g/mol | CAS Common Chemistry |
| 474.3980000000001 g/mol | RDKit | |
| 474.398 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C.O=C(NCC1NCCCC1)C2=CC(OCC(F)(F)F)=CC=C2OCC(F)(F)F | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=RKXNZRPQSOPPRN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-147 °C | CAS Common Chemistry |
| Name | Flecainide acetate | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 100.38000000000001 Ų | RDKit |
| 100.38 Ų | RDKit | |
| LogP | 4.106400000000003 | RDKit |
| 4.1064 | RDKit | |
| Molar Refractivity | 102.52630000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5789 | RDKit |
| 0.58 | chempirical lib | |
| Exact Mass | 474.158941188 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 474.40 g/mol. Edit any field — others recompute live.
