Nifuroxazide
Basic information
- CAS
965-52-6- Standard SMILES
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1- InChIKey
YCWSUKQGVSGXJO-NTUHNPAUSA-N- Molecular formula
- C12H9N3O5
- Average molar mass
- 275.22 g/mol
- Monoisotopic mass
- 275.0542204
Overview
Nifuroxazide is a member of benzoic acids.
Names & identifiers
- Preferred name
- Nifuroxazide
- IUPAC
- 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
- English name
- Nifuroxazide
- Molecular formula
- C12H9N3O5
- Molecular weight
- 275.22
Names & synonyms
Nifuroxazide965-52-6NifuroxazidaNifuroxazidumRC-27109p-Hydroxybenzoic acid (5-nitrofurfurylidene)hydrazideNSC-759261PM5LI0P38JErcefuryl 200SJ000287313DTXCID2025343DTXSID4045343
Show more names
(nitro-5’furfurylidene-2’)hydroxy-4benzhydrazideAdral27-109RCNifuzideRC 30-109diarlidandicoferinercefurolercefurylr.c.27-109
4-hydroxy-N'-((1E)-(5-nitrofuran-2-yl)methylidene)benzohydrazide4-hydroxy-N-((5-nitrofuran-2-yl)methylideneamino)benzamide4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazideRefChem:1657994-hydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamideA07AX03213-522-0Nifuroxazid
Database identifiers
- CAS
965-52-6- PubChem CID
- 5337997
- ChEMBL
CHEMBL244888- ChEBI
CHEBI:135136- UNII
- PM5LI0P38J
- EC Number
- 213-522-0
- Nikkaji
- J7.199D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 281 · 281-283°C
- Boiling point
- 418.17 °C · 418.17°C (rough estimate)
- Density
- 1.3877 · 1.3877 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Practically insoluble in water, slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
- pka
- 8.36 · 8.36±0.15(Predicted)
- form
- Solid
- color
- Yellow
- BRN
- 4264976 · 4264976
- Major Application
- clinical testing
- InChI
- InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- DH2528300
- Toxicity
- LD50 intraperitoneal in mouse: 1gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Applications
UsesNifuroxazide is an intestinal antiseptic. Nifuroxazide, is still used as a veterinary drug illegally in some countries. SEE H829102 as a test for antibiotic in broiler chickens.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionNifuroxazide is a member of benzoic acids. Nifuroxazide is an oral nitrofuran antibiotic used to treat mild diarrhea in humans and animals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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