Back to Search
Furaltadone Hydrochloride
CAS: 3759-92-0 | C13H17ClN4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3759-92-0
Molecular Formula:
C13H17ClN4O6
Molecular Mass:
360.75 g/mol
Names and Synonyms:
Furaltadone Hydrochloride
2-Oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-, hydrochloride (1:1)
2-Oxazolidinone, 5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]-, monohydrochloride
2-Oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-nitro-2-furanyl)methylene]amino]-, monohydrochloride
2-Oxazolidinone, 5-morpholinomethyl-3-(5-nitrofurfurylideneamino)-, hydrochloride
NF-902 hydrochloride
Furaltadone hydrochloride
NF 269
NSC 53270
Identifiers:
SMILES:
Cl.O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1
InChI:
InChI=1S/C13H16N4O6.ClH/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;1H
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 | 360.75 g/mol | CAS Common Chemistry |
| 360.7540000000001 g/mol | RDKit | |
| 360.08366194399997 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C1OC(CN1N=CC=2OC(=CC2)N(=O)=O)CN3CCOCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C13H16N4O6.ClH/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;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PPSVFZXMDMUIGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Furaltadone hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | 1.0964999999999998 | RDKit |
| Molar Refractivity | 84.43840000000002 | RDKit |
