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Molecule
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 Mass
- 324.29 g/mol
Identifiers
CAS Registry Number
139-91-3
SMILES
O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
InChI Key
YVQVOQKFMFRVGR-UHFFFAOYSA-N
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
Names and Synonyms
- Furaltadone Common Name
- Medifuran Synonym
- Ibifur Synonym
- 2-Oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]- Synonym
- 2-Oxazolidinone, 5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]- Synonym
- 5-(4-Morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone Synonym
- F 150 Synonym
- NF 260 Synonym
- Altafur Synonym
- Furaltadone Synonym
- Furazolin Synonym
- Furazoline Synonym
- Furmethonol Synonym
- 5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidinone Synonym
- 5-(4-Morpholinomethyl)-3-(5-nitro-2-furfurylideneamino)-2-oxazolidinone Synonym
- 5-(N-Morpholinomethyl)-3-(5-nitrofurfurylideneamino)-2-oxazolidone Synonym
- N-(5-Nitro-2-furylidene)-3-amino-5-(N′-morpholinomethyl)-2-oxazolidone Synonym
- Valsyn Synonym
- Furmethanol Synonym
- 5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)-2-oxazolidone Synonym
- 5-Morpholinomethyl-3-(5-nitrofurfurylidenamino)-2-oxazolidone Synonym
- 5-Morpholinomethyl-3-(5-nitrofurfurylideneamino)oxazolidone Synonym
- Nitrofurmethone Synonym
- Altabactina Synonym
- Sepsinol Synonym
- Unifur Synonym
- Nitraldone Synonym
- Otifuril Synonym
- Ultrafur Synonym
- 3-(5-Nitro-2-furfurylideneamino)-5-(4-morpholinomethyl)-2-oxazolidone Synonym
- Furmetonol Synonym
- Nitrofurmeton Synonym
- Furaltadon Synonym
- Furitale Synonym
- Furlate Synonym
- Furlidon Synonym
- Furmetox Synonym
- Fur-Novo Synonym
- Furantoina Synonym
- Anauran Synonym
- NSC 42388 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.29 g/mol | CAS Common Chemistry |
| 324.29300000000006 g/mol | RDKit | |
| 324.293 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 |
| 110.65 Ų | RDKit | |
| 101.44 Ų | chempirical lib | |
| LogP | 0.6747000000000003 | RDKit |
| 0.6747 | RDKit | |
| Molar Refractivity | 77.19040000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 324.10698423199995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 324.29 g/mol. Edit any field — others recompute live.
