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HCID 89082Erstellt: 23. Oktober 2026

Dimethyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3,5-dicarboxylat

Nicardipine Related Compound C · BAY-a-4339 · M-NIFEDIPINE · Einecs 244-628-5 · Nicardipine USP RC C · Benidipine impurity D · m-Nifedipine Impurity · Nicardipine Impurity89

https://huagongshe.com/de/chemical/89082

Molekülstruktur von Dimethyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3,5-dicarboxylat

Identifikatoren & physikalische Daten

CAS No.21881-77-6
SummenformelC17H18N2O6
Durchschnittliche Molmasse346,3 g/mol
Monoisotopische Masse346,1164863 g/mol
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
InChIKeyMCTRZKAKODSRLQ-UHFFFAOYSA-N
PubChem CID89082
ChEMBLCHEMBL1098880
EC No.244-628-5
DTXSIDDTXSID40944479
Lokaler NameDimethyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3,5-dicarboxylat

Chemische & physikalische Eigenschaften

XLogP2,5
Polarare Oberfläche (TPSA)110
H-Brücken-Donoren1
H-Brücken-Akzeptoren7
Frei drehbare Bindungen5
Schwere Atome25
Formalladung0
Komplexität608
LogP (Verteilungskoeffizient)0.5
Schmelzpunkt211-213℃
Siedepunkt478.1±45.0 °C(Predicted)
Dichte1.271±0.06 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
LöslichkeitChloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated)
AggregatzustandSolid
pKa (Säurekonstante)2.71±0.70(Predicted)
FarbeOff-White to Light Yellow
Hauptanwendungenpharmaceutical (small molecule)
InChI1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3
InChIKeyMCTRZKAKODSRLQ-UHFFFAOYSA-N
SMILES[N+](=O)([O-])c1cc(ccc1)C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OC

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)WGK 3
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

m-Nifedipine is an impurity of Nifedipine (N457000). Nicardipine USP Related Compound C.