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Furaltadone
CAS: 139-91-3 | C13H16N4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
139-91-3
Molecular Formula:
C13H16N4O6
Molecular Weight:
324.29300000000006 g/mol
Names and Synonyms:
Furaltadone
NSC 42388
Anauran
Furantoina
Fur-Novo
Furmetox
Furlidon
Furlate
Furitale
Furaltadon
Nitrofurmeton
Furmetonol
3-(5-Nitro-2-furfurylideneamino)-5-(4-morpholinomethyl)-2-oxazolidone
Ultrafur
Otifuril
Nitraldone
Unifur
Sepsinol
Altabactina
Nitrofurmethone
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)oxazolidone
5-Morpholinomethyl-3-(5-nitrofurfurylidenamino)-2-oxazolidone
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidone
Furmethanol
Valsyn
N-(5-Nitro-2-furylidene)-3-amino-5-(N′-morpholinomethyl)-2-oxazolidone
5-(N-Morpholinomethyl)-3-(5-nitrofurfurylideneamino)-2-oxazolidone
5-(4-Morpholinomethyl)-3-(5-nitro-2-furfurylideneamino)-2-oxazolidinone
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidinone
Furmethonol
Furazoline
Furazolin
Furaltadone
Altafur
NF 260
F 150
5-(4-Morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone
2-Oxazolidinone, 5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-
2-Oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-
Ibifur
Medifuran
Identifiers:
SMILES:
O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
InChI:
InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2
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 | 324.29 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OC(CN1N=CC=2OC(=CC2)N(=O)=O)CN3CCOCC3 None | Legacy Database |
| cas-inchi | InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YVQVOQKFMFRVGR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 206 °C (decomp) None | Legacy Database |
| cas-name | Furaltadone None | Legacy Database |
| LogP | 0.6747000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 324.29300000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 324.10698423199995 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 110.64999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 77.19040000000003 | RDKit |
