CAS 54143-56-5|Flecainide acetate salt|acetic acid; flecainide|N-(2-Piperidylmethyl)-2,5-bis-(2,2,2-trifluoroethoxy)benzamide acetate salt|N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benz...

Molecular Formula

C₁₉H₂₄F₆N₂O₅

Molecular Mass

474.3946792

Exact Mass

474.1589412

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)

InChIKey

RKXNZRPQSOPPRN-UHFFFAOYSA-N

Canonic Smiles

O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCCN1.CC(=O)O

Isomeric Smiles

CC(=O)O.c1cc(c(cc1OCC(F)(F)F)C(=O)NCC1CCCCN1)OCC(F)(F)F

JChem

Acid pKa

13.681352

H Acceptors

H Donor

LogD (pH = 5.5)

4.944676E-4

LogD (pH = 7.4)

1.0079992

Log P

3.1881418

Molar Refractivity

88.3963

Polarizability

32.706814

Polar Surface Area

59.59

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

41022

Synonyms

Flecainide acetate saltN-(2-Piperidylmethyl)-2,5-bis-(2,2,2-trifluoroethoxy)benzamide acetate saltN-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; acetic acid

IUPAC Traditional name

acetic acid; flecainide

IUPAC name

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; acetic acid

MDL Number

MFCD00214290

PubChem SID

24278440162227079

CAS Number

54143-56-5

Safety Information

German water hazard class

Storage Temperature

2-8°C

Safety Statements

22-26-36/37/39-46

Danger

H302-H315-H319-H335-H360

P201-P261-P305+P351+P338-P308+P313

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Harmful (Xn)

63-22-36/37/38

Physical Property

156 - 158°C

4.65

Product Information

95%

No Data Available

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No Data Available

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Sigma Aldrich

F6777

Biochem/physiol Actions
Class IC antiarrhythmic agent; sodium channel blocker

No Data Available

Click here to submit data

Academic Data

PubChem

41022

Synonyms

Flecainide acetate saltN-(2-Piperidylmethyl)-2,5-bis-(2,2,2-trifluoroethoxy)benzamide acetate saltN-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; acetic acid

IUPAC Traditional name

acetic acid; flecainide

IUPAC name

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; acetic acid

MDL Number

PubChem SID

CAS Number

F6777

Biochem/physiol Actions
Class IC antiarrhythmic agent; sodium channel blocker

No Data Available

Click here to submit data

Safety Information

German water hazard class

Storage Temperature

2-8°C

Safety Statements

22-26-36/37/39-46

Danger

H302-H315-H319-H335-H360

P201-P261-P305+P351+P338-P308+P313

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Harmful (Xn)

63-22-36/37/38

Physical Property

156 - 158°C

4.65

Product Information

95%

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:132802