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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 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.

External Resources

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

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