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Furaltadone
CAS: 139-91-3 | C13H16N4O6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
139-91-3
Molecular Formula:
C13H16N4O6
Molecular Mass:
324.29 g/mol
Names and Synonyms:
Furaltadone
Medifuran
Ibifur
2-Oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-
2-Oxazolidinone, 5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-
5-(4-Morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone
F 150
NF 260
Altafur
Furaltadone
Furazolin
Furazoline
Furmethonol
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidinone
5-(4-Morpholinomethyl)-3-(5-nitro-2-furfurylideneamino)-2-oxazolidinone
5-(N-Morpholinomethyl)-3-(5-nitrofurfurylideneamino)-2-oxazolidone
N-(5-Nitro-2-furylidene)-3-amino-5-(N′-morpholinomethyl)-2-oxazolidone
Valsyn
Furmethanol
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidone
5-Morpholinomethyl-3-(5-nitrofurfurylidenamino)-2-oxazolidone
5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)oxazolidone
Nitrofurmethone
Altabactina
Sepsinol
Unifur
Nitraldone
Otifuril
Ultrafur
3-(5-Nitro-2-furfurylideneamino)-5-(4-morpholinomethyl)-2-oxazolidone
Furmetonol
Nitrofurmeton
Furaltadon
Furitale
Furlate
Furlidon
Furmetox
Fur-Novo
Furantoina
Anauran
NSC 42388
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
Key Properties
Melting Point
206 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.29 g/mol | CAS Common Chemistry |
| 324.29300000000006 g/mol | RDKit | |
| 324.10698423199995 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CN1N=CC=2OC(=CC2)N(=O)=O)CN3CCOCC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YVQVOQKFMFRVGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C (decomp) | CAS Common Chemistry |
| Name | Furaltadone | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 110.64999999999999 Ų | RDKit |
| LogP | 0.6747000000000003 | RDKit |
| Molar Refractivity | 77.19040000000003 | RDKit |
