Diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Grundinformationen
- CAS
21829-28-7- Standard-SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1- InChIKey
ITAOFSSOVNYZCS-UHFFFAOYSA-N- Summenformel
- C19H22N2O6
- Durchschnittliche Molmasse
- 374,4 g/mol
- Monoisotopische Masse
- 374,14778643
Namen und Bezeichner
- Bevorzugter Name
- Diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- Englischer Name
- NSC 136464
- Summenformel
- C19H22N2O6
- Molmasse
- 374.39
Namen und Synonyme
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:92014821829-28-7Nitrendipine EP Impurity CNSC 136464J8G2HHY7Q2NSC136464UNII-J8G2HHY7Q23,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateDiethyl 4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateMLS002920366CHEMBL1099207
Weitere Namen anzeigen
Diethyl 2,6-Dimethyl-4-(3-nitrophenNitrendipine EP Impurity C（M-Nifedipine）Nitrendipine Impurity 1 (Nitrendipine EP Impurity C)3,5-diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine -3,5-dicarboxylate
1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid diethyl esterNSC-136464diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylateDiethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; Nitrendipine Imp. C (EP); Nitrendipine Impurity CMETANIFEDIPINENitrendipine impurity CMaybridge1_008978MixCom3_000025
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 636
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 ℃ · 178℃
- Siedepunkt
- 499.8 · 499.8±45.0 °C(Predicted)
- Dichte
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.70(Predicted)
Chemie und Industrie
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