Basic information
- CAS
80047-24-1- Standard SMILES
Cc1[nH]c(=O)c(C(N)=O)cc1-c1ccncc1- InChIKey
SWKVSFPUHCMFJY-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred 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
- English name
- MILRINONE RELATED COMPOUND A (50 MG) (1,6-DIHYDRO-2-METHYL-6-OXO(3,4'-BIPYRIDINE)-5-CAR-BOXAMIDE)
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.23
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 300 °C · >300 °C (decomp)
- Boiling point
- 563.9 · 563.9±50.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Aqueous Acid (Very Slightly), DMSO (Very Slightly, Heated, Sonicated), Methanol
- form
- Solid
- pka
- 8.65 · 8.65±0.10(Predicted)
- color
- Pale Yellow
- Stability
- 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
- FDA UNII
- 75 E39HK2X2 · 75E39HK2X2
- UNSPSC Code
- 41116107 · 41116107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933790002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses5-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.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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