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Flecainide EP Impurity C

CAT: 1596-AR-F01523-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAS Number
152171-74-9
Synonyms
4-hydroxy-N- (piperidin-2-ylmethyl) -2,5-bis (2,2,2-trifluoroethoxy) benzamide;4-Hydroxy-N- (2-piperidinylmethyl) -2,5-bis (2,2,2-trifluoroethoxy) benzamide; (±) -4-Hydroxy-N- (2-piperidinylmethyl) -2,5-bis (2,2,2-trifluoroethoxy) benzamide;4-Hydroxy Flecainide; Flecainide Impurity C
Molecular Formula
C17H20F6N2O4
Molecular Weight
430.35
API Name
Flecainide

Chemical Information

4-Hydroxy Flecainide
CAS Number152171-74-9
PubChem CID45357580
IUPAC Name4-hydroxy-N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Molecular FormulaC17H20F6N2O4
Molecular Weight430.34
XLogP3.4
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity531
SMILES
C1CCNC(C1)CNC(=O)C2=CC(=C(C=C2OCC(F)(F)F)O)OCC(F)(F)F
InChI
InChI=1S/C17H20F6N2O4/c18-16(19,20)8-28-13-6-12(26)14(29-9-17(21,22)23)5-11(13)15(27)25-7-10-3-1-2-4-24-10/h5-6,10,24,26H,1-4,7-9H2,(H,25,27)
InChIKey
QUXZMOOURSXVFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy Flecainide
CAS: 152171-74-9
CID: 45357580
Formula: C17H20F6N2O4
MW: 430.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.34
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass430.13272610
Monoisotopic Mass430.13272610
Topological Polar Surface Area79.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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