Methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-carboxy-5-pyridinecarboxylate
Grundinformationen
- CAS
64603-72-1- Standard-SMILES
COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1cccc([N+](=O)[O-])c1- InChIKey
BXLPPWLKFWCWOY-UHFFFAOYSA-N- Summenformel
- C16H14N2O6
- Durchschnittliche Molmasse
- 330,29 g/mol
- Monoisotopische Masse
- 330,08518617
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-carboxy-5-pyridinecarboxylate
- IUPAC
- 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid
- Englischer Name
- Nicardipine Related CoMpound 2
- Summenformel
- C16H14N2O6
- Molmasse
- 330.29
Namen und Synonyme
methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-carboxy-5-pyridinecarboxylateRefChem:92564164603-72-1Benidipine Impurity I5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic Acid2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid monomethyl ester2,6-Dimethyl-4-(3-nitro-phenyl)-pyridine-3,5-dicarboxylic acid monomethyl ester2,?6-?Dimethyl-?4-?(3-?nitrophenyl)?pyridine-?3,?5-?dicarboxylic acid monomethyl esterCTJ52M7FQT5-(METHOXYCARBONYL)-2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3-CARBOXYLIC ACIDSCHEMBL4384277
Weitere Namen anzeigen
SL 5721Nicardipine Impurity 4Nicardipine Impurity 04Nicardipine Impurity 20Lercanidipine Impurity07Nicardipine Related CoMpound 2Nicardipine Pyridine Monoacid ImpurityNicardipine Dehydro Carboxylic Acid ImpNicardipine Dehydro Carboxylic Acid Impurity
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 505
Physikochemische Eigenschaften
- Schmelzpunkt
- 196 · 196-198 °C(Solv: methanol (67-56-1))
- Siedepunkt
- 475.2 · 475.2±45.0 °C(Predicted)
- Dichte
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- pka
- 1.05 · 1.05±0.25(Predicted)
- InChI
- InChI=1S/C16H14N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7H,1-3H3,(H,19,20)
- InChIKey
- BXLPPWLKFWCWOY-UHFFFAOYSA-N
- SMILES
- C1(C)=NC(C)=C(C(O)=O)C(C2=CC=CC([N+]([O-])=O)=C2)=C1C(OC)=O
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesOPC-13463 is a known human metabolite of (4R)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid and Dehydrogenated pranidipine.
Anwendungen
Verwenden2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid monomethyl ester is an impurity of Nicardipine, a dihydropyridine calcium channel blocker that is used to treat high blood pressure and angina.
Anbieter37 Anbieter
济南百隆化学有限公司[email protected] · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [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]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…