alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
Basic information
- CAS
78833-03-1- Standard SMILES
CC(C)CC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1- InChIKey
ZZOZYGHXNQPIPS-UHFFFAOYSA-N- Molecular formula
- C19H33N3O
- Average molar mass
- 319.5 g/mol
- Monoisotopic mass
- 319.26236269
Names & identifiers
- Preferred name
- alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
- IUPAC
- 2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamide
- English name
- alpha-[2-(diisopropylamino)ethyl]-alpha-isobutylpyridine-2-acetamide
- Molecular formula
- C19H33N3O
- Molecular weight
- 319.48482
Names & synonyms
PentisomidePenticainide78833-03-1PentisomidaCM-7857PentisomidumME-3202506T8KTW5QDTXSID40869274RefChem:1076412DTXCID80817279alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
Show more names
Einecs 278-989-5Pentisomide (unspecified)2-[2-(Diisopropylamino)ethyl]-4-methyl]-2-(2-pyridyl)pentanamideα-[2-[Bis(1-methylethyl)amino]ethyl]-α-(2-methylpropyl)-2-pyridineacetamide
278-989-5PropisomidePentisomide [INN]2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamideALPHA-[2-(DIISOPROPYLAMINO)ETHYL]-ALPHA-ISOBUTYLPYRIDINE-2-ACETAMIDEalpha-(2-(Diisopropylamino)ethyl)-alpha-isobutylpyridine-2-acetamideCM 7857; ME 3202; Penticainide; PentisomideME 3202
Database identifiers
- CAS
78833-03-1- PubChem CID
- 65847
- DTXSID
DTXSID40869274- ChEMBL
CHEMBL141837- UNII
- 506T8KTW5Q
- EC Number
- 278-989-5
- Nikkaji
- J319.183D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Melting point
- 108 · 108-1090C
- Boiling point
- 460.5 · 460.5±45.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 15.87 · 15.87±0.50(Predicted)
- form
- Solid
- color
- Off-White to Pale Brown
- FDA UNII
- 506 T8KTW5Q · 506T8KTW5Q
Chemistry & industry
Applications
UsesPentisomide is a sodium channel blocker; derivative of disopyramide. Antiarrhythmic (class I).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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