1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carboxamide
Grundinformationen
- CAS
80047-24-1- Standard-SMILES
Cc1[nH]c(=O)c(C(N)=O)cc1-c1ccncc1- InChIKey
SWKVSFPUHCMFJY-UHFFFAOYSA-N- Summenformel
- C12H11N3O2
- Durchschnittliche Molmasse
- 229,23 g/mol
- Monoisotopische Masse
- 229,0851266
Namen und Bezeichner
- Bevorzugter Name
- 1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carboxamide
- IUPAC
- 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
- Englischer Name
- MILRINONE RELATED COMPOUND A (50 MG) (1,6-DIHYDRO-2-METHYL-6-OXO(3,4'-BIPYRIDINE)-5-CAR-BOXAMIDE)
- Summenformel
- C12H11N3O2
- Molmasse
- 229.23
Namen und Synonyme
80047-24-1[3,4'-Bipyridine]-5-carboxamide, 1,6-dihydro-2-methyl-6-oxo-75E39HK2X2WIN 473381,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carboxamide(3,4'-Bipyridine)-5-carboxamide, 1,6-dihydro-2-methyl-6-oxo-6-Methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxamideRefChem:10535082-Methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxamide2-Methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carboxamideMFCD098006016-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
Weitere Namen anzeigen
Milrinone USP RC AMilrinone Impurity ⅠMilrinone Impurity GMilrinone ImpuritiesAMilrinone Related CoMpound AMilrinone USP Related Compound A6-Methyl-2-oxo-5-(4-pyridyl)-1H-pyrMilrinone amide (Milrinone impurity)
Milrinone Impurity A5-Descyano Milrinone 5-CarboxyamideCHEMBL42785381,6-Dihydro-2-methyl-6-oxo-[3,4']bipyridin-5-ylcarboxylic acid amide6-Methyl-2-oxo-5-(4-pyridyl)-1H-pyridine-3-carboxamideMilrinone amide[3,4'-Bipyridine]-5-carboxamide, 1,6-dihydro-2-methyl-6-oxo-; Win 47338; Milrinone Related Compound AMILRINONE IMPURITY
Datenbank-Bezeichner
- CAS
80047-24-1- PubChem CID
- 12799331
- DTXSID
DTXSID30510182- ChEMBL
CHEMBL4278538- UNII
- 75E39HK2X2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 85,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 417
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (decomp)
- Siedepunkt
- 563.9 · 563.9±50.0 °C(Predicted)
- Dichte
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Aqueous Acid (Very Slightly), DMSO (Very Slightly, Heated, Sonicated), Methanol
- Aggregatzustand
- Solid
- pka
- 8.65 · 8.65±0.10(Predicted)
- Farbe
- Pale Yellow
- Stabilität
- Hygroscopic
- Major Application
- pharmaceutical
- InChI
- 1S/C12H11N3O2/c1-7-9(8-2-4-14-5-3-8)6-10(11(13)16)12(17)15-7/h2-6H,1H3,(H2,13,16)(H,15,17)
- InChIKey
- SWKVSFPUHCMFJY-UHFFFAOYSA-N
- SMILES
- [nH]1[c](c(cc(c1C)c2ccncc2)C(=O)N)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933790002
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Descyano Milrinone 5-Carboxyamide (Milrinone USP Related Compound A) is an impurity of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.
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