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Nifedin
CAS: 21829-25-4 | C17H18N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21829-25-4
Molecular Formula:
C17H18N2O6
Molecular Weight:
346.33900000000006 g/mol
Names and Synonyms:
Nifedin
Synonym
Nifedine
Synonym
Hadipine
Synonym
Cordalat
Synonym
Myogard
Synonym
Adalat CR
Synonym
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 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
Identifiers:
SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 346.34 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC)C1=C(NC(=C(C(=O)OC)C1C=2C=CC=CC2N(=O)=O)C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=HYIMSNHJOBLJNT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 172-174 °C None | Legacy Database |
| cas-name | Nifedipine None | Legacy Database |
| LogP | 2.1756 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 346.33900000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 346.11648629599995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 107.77000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.40510000000003 | RDKit |