CAS No.4936-47-4,Nifuratel Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4936-47-4
Name:	Nifuratel
Article Data:	14

Formula:	C₁₀H₁₁N₃O₅S
Molecular Weight:	285.28
Synonyms:	2-Oxazolidinone,5-[(methylthio)methyl]-3-[(5-nitrofurfurylidene)amino]- (7CI,8CI);3-[(5-Nitro-2-furfurylidene)amino]-5-[(methylthio)methyl]-2-oxazolidinone;5-(Methylmercaptomethyl)-3-(5-nitro-2-furfurylidenamino)-2-oxazolidinone;5-(Methylthiomethyl)-3-(5-nitro-2-furfurylidenamino)oxazolidin-2-one;5-[(Methylthio)methyl]-3-[(5-nitrofurfurylidene)amino]-2-oxazolidinone;Inimur;Macmiror;Magmilor;Methylmercadone;NF 113;Omnes;Polmiror;SAP113;Tydantil;
EINECS:	225-576-2
Density:	1.57 g/cm³
Melting Point:	176-178 °C
Boiling Point:	423.6 °C at 760 mmHg
Flash Point:	210 °C
Appearance:	Yellow solid
Hazard Symbols:	Xi
Risk Codes:	68
Safety:	36/37
PSA:	126.16000
LogP:	2.16660

Synthetic route

: 698-63-5
5-nitrofurane-2-carboxaldehyde

: 25517-72-0
3-amino-5-[(methylthio)methyl]oxazolidin-2-one

: 4936-47-4
nifuratel

Conditions

Conditions	Yield
at 15 - 40℃; for 5h; Temperature; Large scale;	96.9%
In ethanol; water at 20℃; Darkness;	197.7 g

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Specification

The Nifuratel is an organic compound with the formula C₁₀H₁₁N₃O₅S. The IUPAC name of this chemical is 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one. With the CAS registry number 4936-47-4, it is also named as 2-Oxazolidinone, 5-((methylthio)methyl)-3-(((5-nitro-2-furanyl)methylene)amino)-. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals.

The Nifuratel is a drug used in gynecology. It is a local antiprotozoal and antifungal agent. It appears to have a broad antibacterial spectrum of action and is effective against Chlamydia trachomatis and Mycoplasma spp. as well as fungal infections from Candida spp.

Physical properties about Nifuratel are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1.8; (5)ACD/BCF (pH 7.4): 1.8; (6)ACD/KOC (pH 5.5): 53.09; (7)ACD/KOC (pH 7.4): 53.09; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 126.16 Å²; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 67.45 cm³; (13)Molar Volume: 181.4 cm3; (14)Polarizability: 26.74×10^-24cm³; (15)Surface Tension: 65.5 dyne/cm; (16)Density: 1.57 g/cm³; (17)Flash Point: 210 °C; (18)Enthalpy of Vaporization: 67.8 kJ/mol; (19)Boiling Point: 423.6 °C at 760 mmHg; (20)Vapour Pressure: 2.21E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1oc(cc1)\C=N\N2C(=O)OC(CSC)C2
(2)InChI: InChI=1/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
(3)InChIKey: SRQKTCXJCCHINN-NYYWCZLTBV
(4)Std. InChI: InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
(5)Std. InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 4500mg/kg (4500mg/kg)		Farmaco, Edizione Scientifica. Vol. 19, Pg. 301, 1964.
rat	LDLo	oral	> 5gm/kg (5000mg/kg)		Chimica Therapeutica. Vol. 1, Pg. 181, 1966.