5-(Methylsulfanylmethyl)-3-[(5-nitro-2-furyl)methyleneamino]oxazolidin-2-one
Basic information
- CAS
4936-47-4- Standard SMILES
CSCC1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)O1- InChIKey
SRQKTCXJCCHINN-UHFFFAOYSA-N- Molecular formula
- C10H11N3O5S
- Average molar mass
- 285.28 g/mol
- Monoisotopic mass
- 285.04194163
Overview
See also: Nifuratel (annotation moved to).
Names & identifiers
- Preferred name
- 5-(Methylsulfanylmethyl)-3-[(5-nitro-2-furyl)methyleneamino]oxazolidin-2-one
- IUPAC
- 5-(methylsulfanylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
- English name
- Nifuratel
- Molecular formula
- C10H11N3O5S
- Molecular weight
- 285.28
Names & synonyms
C10H11N3O5SSCHEMBL365913DTXSID60863471SRQKTCXJCCHINN-UHFFFAOYSA-Ns39665-(methylsulfanylmethyl)-3-[(5-nitro-2-furyl)methyleneamino]oxazolidin-2-oneDB-051625N11675-[(methylsulfanyl)methyl]-3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-onemagmilorMACMIRORnf113
Show more names
omnessap113InimurNifterpolmirorTydantilNifurate
Database identifiers
- CAS
4936-47-4- PubChem CID
- 21054
- DTXSID
DTXSID60863471
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 176 · 176-178°C
- Boiling point
- 423.6 · 423.6±53.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetone (Sparingly), DMSO (Slightly)
- pka
- -2.49 · -2.49±0.40(Predicted)
- form
- Solid
- color
- Yellow
- Stability
- Hygroscopic
- CAS DataBase Reference
- 4936 · 4936-47-4(CAS DataBase Reference)
- FDA UNII
- 60 U6P08SP · U60U6P08SP
- ATC code
- 1 AX05 · G01AX05
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29321900
- Toxicity
- LD50 oral in mouse: > 4500mg/kg
- risk_code
- 68
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionNifuratel is a derivative of nitrofuran , it is a broad spectrum antibiotic with broad-spectrum antimicrobial effect, Nystatin is a polyene antifungal,it has strong effects on trichomoniasis, bacteria, Candida albicans , it plays a strong killing role especially in common pathogens for gynecological infections such as gram-positive and gram-negative bacteria, trichomoniasis, mold, chlamydia and mycoplasma.
UsesNifuratel is a drug used as an antibacterial, antifungal, antiprotozoal (Trichomonas). Nifuratel has a broad antibacterial spectrum of action and is effective against Chlamydia trachomatis and Mycoplasma spp. as well as fungal infections from Candida spp.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Nifuratel is a member of furans and a C-nitro compound.
Suppliers
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Compound notes
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