Mrv0541 10231309352D          

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    9.9796   -1.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2266   -2.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626   -0.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3404    0.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0256    0.1435    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
> <ID>
CHEBI:75984

> <NAME>
flecainide

> <DEFINITION>
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5090

> <SYNONYM>
N-(2-Piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; Flecaine; CCRIS 313; (+-)-flecainide

> <IUPAC_NAME>
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

> <INN>
flecainidum; flecainide; flecainide; flecainida

> <FORMULA>
C17H20F6N2O3

> <MASS>
414.34270

> <MONOISOTOPIC_MASS>
414.13781

> <CHARGE>
0

> <SMILES>
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC1CCCCN1

> <INCHI>
InChI=1S/C17H20F6N2O3/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/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)

> <INCHIKEY>
DJBNUMBKLMJRSA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
54143-55-4

> <REAXYS_REGISTRY_NUMBER>
500093

> <CHEMIDPLUS>
54143-55-4

> <DRUGBANK_ACCESSION>
DB01195

> <KEGG_COMPOUND_ACCESSION>
C07001

> <KEGG_DRUG_ACCESSION>
D07962

> <LINCS_ACCESSION>
LSM-1297

> <WIKIPEDIA_ACCESSION>
Flecainide

> <PUBMED_CITATION>
21029131; 22526215; 22882363; 22913299; 22981658; 23067130; 23188129; 23202797; 23286974; 23329876; 23334259; 23410160; 23518212; 23558880; 23635804; 23647896; 23700986; 23714084; 23756405; 23954267; 24019076; 24084224

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