Methylhydrogen-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3,5-dicarboxylat
2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
Grundinformationen
- CAS
74936-72-4- Standard-SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1- InChIKey
JPXPPUOCSLMCHK-UHFFFAOYSA-N- Summenformel
- C16H16N2O6
- Durchschnittliche Molmasse
- 332,31 g/mol
- Monoisotopische Masse
- 332,10083623
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester
- IUPAC
- 5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
- Lokaler Name
- Methylhydrogen-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3,5-dicarboxylat
- Englischer Name
- 5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
- Summenformel
- C16H16N2O6
- Molmasse
- 332.31
Namen und Synonyme
74936-72-4Carboxy-nifedipine5DU0E310OI1,4-Dihydro-2,6-dimethyl-4--(3-nitrophenyl)pyridine-3-carboxylic acid-5-carboxylic methyl ester2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl esterRefChem:8177815-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl EsterNicardipine USP Related Compound AMFCD00475478Lercanidipine Impurity 9
Weitere Namen anzeigen
DHP-050PRAN-001278-034-2Le Chi Chi1,4-DHPCOOHUNII:5DU0E310OINicardipine USP RC ANifedipine Impurity 2Le Chi mother nucleusLercanidipine nucleus
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 121 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 631
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 · 200-202C
- Siedepunkt
- 505 · 505.0±50.0 °C(Predicted)
- Dichte
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Sparingly), Methanol (Slightly, Heated)
- pka
- 1.66 · 1.66±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow to Light Yellow
- InChI
- InChI=1S/C16H16N2O6/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/h4-7,14,17H,1-3H3,(H,19,20)
- InChIKey
- JPXPPUOCSLMCHK-UHFFFAOYSA-N
- SMILES
- C1(C)NC(C)=C(C(O)=O)C(C2=CC=CC([N+]([O-])=O)=C2)C=1C(OC)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: Methyl hydrogen 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate (EC: 278-034-2)
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Sicherheitsdaten
- hs_code
- 2934999090
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid is a known human metabolite of Pranidipine and barnidipine.
Anwendungen
Beschreibung5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid(1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl Ester) is a pharmaceutical intermediate ingredient used in the preparation of Barnidipine, Lercanidipine hydrochloride and nitrendipine analogues. These drugs are all calcium channel blockers and are used to treat various forms of hypertension.
Verwenden1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl Ester can be used in the prevention and therapy of atherosclerotic degradation of arterial walls.
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