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Puradin
CAS: 67-45-8 | C8H7N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-45-8
Molecular Formula:
C8H7N3O5
Molecular Weight:
225.16 g/mol
Names and Synonyms:
Puradin
Furidon
Furox
Furazolidone
2-Oxazolidinone, 3-[[(5-nitro-2-furanyl)methylene]amino]-
2-Oxazolidinone, 3-[(5-nitrofurfurylidene)amino]-
3-(5-aci-Nitro-2(5H)-furylidenemethylimino)-2-oxooxazolidinium hydroxide, inner salt
3-[[(5-Nitro-2-furanyl)methylene]amino]-2-oxazolidinone
NF 180
Furaxone
Furazol
Furazolidone
Furazon
Furozolidine
Nifulidone
3-[(5-Nitrofurfurylidene)amino]-2-oxazolidinone
N-(5-Nitro-2-furfurylidene)-3-amino-2-oxazolidone
Nitrofuroxon
Trifurox
Furoxone
2-Furanmethanimine, 5-nitro-N-(2-oxo-3-oxazolidinyl)-
Giarlam
Nicolen
Ortazol
Roptazol
Furoxane
Giardil
Neftin
Medaron
Furoxone Swine Mix
Furazolidon
Diafuron
Furoxon
Optazol
Nitrofurazolidone
Furoxal
Furaxon
Tikofuran
Furovag
NSC 6469
Furazolidinone
Foroxone
Dependal-M
Identifiers:
SMILES:
O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1
InChI:
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2
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 | 225.16 g/mol | Legacy Database |
| cas-canonical-smile | O=C1OCCN1N=CC=2OC(=CC2)N(=O)=O None | Legacy Database |
| cas-inchi | InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PLHJDBGFXBMTGZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 255 °C None | Legacy Database |
| cas-name | Furazolidone None | Legacy Database |
| LogP | 0.9739 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 225.16 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 225.038570324 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 98.17999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 51.01040000000001 | RDKit |
