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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
Nifedine
Hadipine
Cordalat
Myogard
Adalat CR
Nifedipine
Alonix
Cardifen
Citilat
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, 3,5-dimethyl ester
Dilcor
Normadil
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-, dimethyl ester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
Nifedipine
BAY-a 1040
4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine
Adalat
BAY 1040
2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-nitrophenyl)-1,4-dihydropyridine
Corynphar
Corinfar
Procardia
Fenihidine
Glopir
TN 873R
Cordafen
2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
Cordaflex
Niphedipine
Dimethyl 4-(o-Nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Procardia XL
Nifelate
Sepamit R
Adalat CC
Nifelan
Nifedipine retard
UV-ENP 349PINA
Macorel
Duranifin
Adalat 10
Nifangin
Anpine
Dignokonstant
Zenusin
Adalat LA
Nifedipres
Adalat GITS 30
Fedcor Retard
Alonix S
Fedipin
Coracten
Vasdalat
Fenamon SR
Adalat 20
Nifedirex LP
Nifelat
Ecodipin
Fenamon
Pidilat
Adalat LP
Nifecard
Adalat 5
Calcilat
Nifidine
Adalat GITS
Tibricol
Nificard
Osmo-Adalat
Chronadalate LP
Sepamit
Nyefax
Nifebene
Vasofed
Tensopin
Alpha-Nifedipine Retard
Cordipin
Corotrend
Ecodipin E
Nifelat Q
Adalat FT
Adapine
Adalat PA
Dipinkor
Nifdemin
Adalat Oros
Nicardia
Apo-Nifed
Fedcor
Adalate
Cardilat
Nifecor
Cardionorm
NIfedilat
Nifedepat
Nifar
Adalat Crono
Depin
Dilafed
Orix
Nifedicor
Megalat
Hexadilat
Calcibloc
Nyefax Retard
Novo Nifedin
Angipec
Vasdalat Retard
Aprical
Coral
Alat
Calcigard
Nedipin
Nifipen
Slofedipine XL
Chronadalate
Cordilan
Bonacid
Anifed
Alfadat
Nifensar XL
Adapress
Ecodipi
Kordafen
Introcar
Cordicant
Aldipin
Oxcord
Camont
Cardilate
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate
Adalat retard
Nifedate
Nifelantern
Nicardia retard
Calciguard
Xinran
Corinfar retard
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester
Cordipin-retard
Calbloc retard
Calcigard retard
Cardules retard
Depicor SR
Depin retard
Nifedine SR
Nifelet retard
Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3,5-Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.1756 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.40510000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 346.33900000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 346.11648629599995 g/mol | RDKit |
