Nifedipine

CAS: 21829-25-4 · C17H18N2O6

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 21829-25-4
Molecular Formula: C17H18N2O6
Molecular Mass: 346.34 g/mol

Identifiers

CAS Registry Number

21829-25-4

SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]

InChI Key

HYIMSNHJOBLJNT-UHFFFAOYSA-N

InChI

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

Names and Synonyms

Nifedipine Synonym
Alonix Synonym
Cardifen Synonym
Citilat Synonym
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3,5-dimethyl ester Synonym
Dilcor Synonym
Normadil Synonym
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-, dimethyl ester Synonym
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester Synonym
Nifedipine Synonym
BAY-a 1040 Synonym
4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine Synonym
Adalat Synonym
BAY 1040 Synonym
2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-nitrophenyl)-1,4-dihydropyridine Synonym
Corynphar Synonym
Corinfar Synonym
Procardia Synonym
Fenihidine Synonym
Glopir Synonym
TN 873R Synonym
Cordafen Synonym
2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Synonym
Cordaflex Synonym
Niphedipine Synonym
Dimethyl 4-(o-Nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate Synonym
Procardia XL Synonym
Nifelate Synonym
Sepamit R Synonym
Adalat CC Synonym
Nifelan Synonym
Nifedipine retard Synonym
UV-ENP 349PINA Synonym
Macorel Synonym
Duranifin Synonym
Adalat 10 Synonym
Nifangin Synonym
Anpine Synonym
Dignokonstant Synonym
Zenusin Synonym
Adalat LA Synonym
Nifedipres Synonym
Adalat GITS 30 Synonym
Fedcor Retard Synonym
Alonix S Synonym
Fedipin Synonym
Coracten Synonym
Vasdalat Synonym
Fenamon SR Synonym
Adalat 20 Synonym
Nifedirex LP Synonym
Nifelat Synonym
Ecodipin Synonym
Fenamon Synonym
Pidilat Synonym
Adalat CR Synonym
Nifedin Synonym
Nifedine Synonym
Hadipine Synonym
Cordalat Synonym
Myogard Synonym
Adalat LP Synonym
Nifecard Synonym
Adalat 5 Synonym
Calcilat Synonym
Nifidine Synonym
Adalat GITS Synonym
Tibricol Synonym
Nificard Synonym
Osmo-Adalat Synonym
Chronadalate LP Synonym
Sepamit Synonym
Nyefax Synonym
Nifebene Synonym
Vasofed Synonym
Tensopin Synonym
Alpha-Nifedipine Retard Synonym
Cordipin Synonym
Corotrend Synonym
Ecodipin E Synonym
Nifelat Q Synonym
Adalat FT Synonym
Adapine Synonym
Adalat PA Synonym
Dipinkor Synonym
Nifdemin Synonym
Adalat Oros Synonym
Nicardia Synonym
Apo-Nifed Synonym
Fedcor Synonym
Adalate Synonym
Cardilat Synonym
Nifecor Synonym
Cardionorm Synonym
NIfedilat Synonym
Nifedepat Synonym
Nifar Synonym
Adalat Crono Synonym
Depin Synonym
Dilafed Synonym
Orix Synonym
Nifedicor Synonym
Megalat Synonym
Hexadilat Synonym
Calcibloc Synonym
Nyefax Retard Synonym
Novo Nifedin Synonym
Angipec Synonym
Vasdalat Retard Synonym
Aprical Synonym
Coral Synonym
Alat Synonym
Calcigard Synonym
Nedipin Synonym
Nifipen Synonym
Slofedipine XL Synonym
Chronadalate Synonym
Cordilan Synonym
Bonacid Synonym
Anifed Synonym
Alfadat Synonym
Nifensar XL Synonym
Adapress Synonym
Ecodipi Synonym
Kordafen Synonym
Introcar Synonym
Cordicant Synonym
Aldipin Synonym
Oxcord Synonym
Camont Synonym
Cardilate Synonym
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate Synonym
Adalat retard Synonym
Nifedate Synonym
Nifelantern Synonym
Nicardia retard Synonym
Calciguard Synonym
Xinran Synonym
Corinfar retard Synonym
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester Synonym
Cordipin-retard Synonym
Calbloc retard Synonym
Calcigard retard Synonym
Cardules retard Synonym
Depicor SR Synonym
Depin retard Synonym
Nifedine SR Synonym
Nifelet retard Synonym
Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Synonym
3,5-Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	346.34 g/mol	CAS Common Chemistry
	346.33900000000006 g/mol	RDKit
	346.339 g/mol	RDKit
Canonical SMILES	O=C(OC)C1=C(NC(=C(C(=O)OC)C1C=2C=CC=CC2N(=O)=O)C)C	CAS Common Chemistry
InChI	InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3	CAS Common Chemistry
InChI Key	InChIKey=HYIMSNHJOBLJNT-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	172-174 °C	CAS Common Chemistry
Name	Nifedipine	CAS Common Chemistry
Heavy Atom Count	25	RDKit
Hydrogen Bond Acceptors	7	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	107.77000000000001 Å²	RDKit
	107.77 Å²	RDKit
	102.93 Å²	chempirical lib
LogP	2.1756	RDKit
Molar Refractivity	88.40510000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.2941	RDKit
	0.29	chempirical lib
Exact Mass	346.11648629599995 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 346.34 g/mol. Edit any field — others recompute live.

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