CAS No.: 67-45-8 — Furazolidone (-)

1. Primary Information

English name:	Furazolidone
CAS No.:	67-45-8
Molecular formula:	C₈H₇N₃O₅
Molecular weight:	225.16 g/mol
SMILES:	C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
Structural class:
Other identifiers:	Furazol Furazolidine Furazolidone Furoxone Nifurazolidone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	480	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in DMF	80	RT	in stock	-
Kehua Intelligence	5g	98%	25	RT	in stock	-
Kehua Intelligence	25g	98%	96	RT	in stock	-
Kehua Intelligence	100g	98%	300	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 -4.7705 -0.3915 0.2922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 -0.5348 0.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9324 1.7173 0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 0.0425 0.0895 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2080 -1.7833 0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6173 -0.0555 -0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 0.5920 -0.2508 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -0.5426 0.1696 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7733 -1.4550 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 -1.6026 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.5505 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 0.3472 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -0.1684 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 1.6013 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 0.1819 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 1.5010 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3476 -2.0009 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 -1.8039 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 -1.6774 -1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5978 -2.4680 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4615 -1.2455 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 2.4886 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 2.2959 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 16 23 1 0 0 0 0 M CHG 2 4 -1 8 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

4.2 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/b9-5+

4.3 InChIKey

PLHJDBGFXBMTGZ-WEVVVXLNSA-N

4.4 Canonical SMILES

C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

4.5 Isomeric SMILES

C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)