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S-(+)-Flecainide

CAT: 0572-TRC-F389995-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F389995-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99495-92-8
Synonyms
S-(+)-Flecainide; Benzamide, N-[(2S)-2-piperidinylmethyl]-2,5-bis(2,2,2-trifluoroethoxy)-; Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, (S)-; N-[(2S)-2-Piperidinylmethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide; (+)-Flecainide; (S)-(+)-Flecainide; (S)-Flecainide
Hazard Statement
No Data Available
Smiles
FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NC[C@@H]2CCCCN2
Molecular Formula
C17 H20 F6 N2 O3
Molecular Weight
414.34
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)/t11-/m0/s1
Additionnal Information
IUPAC name: N-[[(2S)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Shipping Conditions
Room Temperature

Chemical Information

(S)-Flecainide
CAS Number99495-92-8
PubChem CID6604414
IUPAC NameN-[[(2S)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Molecular FormulaC17H20F6N2O3
Molecular Weight414.34
XLogP3.8
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
C1CCN[C@@H](C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
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)/t11-/m0/s1
InChIKey
DJBNUMBKLMJRSA-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-Flecainide
CAS: 99495-92-8
CID: 6604414
Formula: C17H20F6N2O3
MW: 414.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.34
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass414.13781148
Monoisotopic Mass414.13781148
Topological Polar Surface Area59.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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