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Flecainide-d4

CAT: 0572-TRC-F390003-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F390003-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276197-20-6
Synonyms
N-(2-Piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide-d4; (±)-Flecainide-d4; Flecaine-d4;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O=C(NCC1CCCCN1)C2=CC(OC([2H])([2H])C(F)(F)F)=CC=C2OC([2H])([2H])C(F)(F)F
Molecular Formula
C17H16D4F6N2O3
Molecular Weight
418.37
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-[(piperidin-2-yl)methyl]-2,5-bis[2,2,2-trifluoro(1,1-2H2)ethoxy]benzamide
CAS Number1276197-20-6
PubChem CID76973111
IUPAC Name2,5-bis(1,1-dideuterio-2,2,2-trifluoroethoxy)-N-(piperidin-2-ylmethyl)benzamide
Molecular FormulaC17H20F6N2O3
Molecular Weight418.37
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
[2H]C([2H])(C(F)(F)F)OC1=CC(=C(C=C1)OC([2H])([2H])C(F)(F)F)C(=O)NCC2CCCCN2
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)/i9D2,10D2
InChIKey
DJBNUMBKLMJRSA-YQUBHJMPSA-N
Chemical Structure
2D Structure
2D structure of N-[(piperidin-2-yl)methyl]-2,5-bis[2,2,2-trifluoro(1,1-2H2)ethoxy]benzamide
CAS: 1276197-20-6
CID: 76973111
Formula: C17H20F6N2O3
MW: 418.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.37
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass418.16291846
Monoisotopic Mass418.16291846
Topological Polar Surface Area59.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
Isotope Atom Count4
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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