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Nitrofurantoin chemical structure, C8H6N4O5, CAS 67-20-9
2D chemical structure

Key facts

What buyers check first

Appearance
Orange-yellow needles from dil acetic acid
Melting point
263 °C
Solubility
Soly (mg/100 ml): water (pH 7) 19.0, 95% ethanol 51.0, acetone 510, DMF 8000, peanut oil…
HS code
293499
Category
Antibiotics and anti-infectives
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Nitrofurantoin?

Plain description, key identifiers and synonyms

Nitrofurantoin is an imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. It has a role as an antiinfective agent, an antibacterial drug and a hepatotoxic agent. It is an imidazolidine-2,4-dione, an organonitrogen heterocyclic antibiotic, an organooxygen heterocyclic antibiotic and a nitrofuran antibiotic. It is functionally related to a semicarbazide.

Nitrofurantoin is a pharmaceutical drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CAS number
67-20-9 CAS number cross-checkedOther or deprecated CAS: 178170-37-1
EC number
200-646-5
Molecular formula
C8H6N4O5
UNII
927AH8112L
MDL number
MFCD00003224
InChIKey
NXFQHRVNIOXGAQ-YCRREMRBSA-N
InChI
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
Canonical SMILES
O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1
Isomeric SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]

Synonyms

  • Furadantin
  • Macrodantin
  • 5-Nitrofurantoin
  • Furadantoin
  • Furadonin
  • Furadontin
  • Nifurantin
  • Furalan
  • Macrobid
  • Orafuran
  • Parfuran
  • Urantoin
  • Ituran
  • Nitrofurantoina
  • Nitrofurantoine
  • Berkfurin
  • Chemiofuran
  • Furachel
  • Furadoine
  • Furadonine
  • Furatoin
  • Furobactina
  • Novofuran
  • Trantoin
  • Urofurin
Show all 39 synonyms
  • Welfurin
  • Zoofurin
  • Cyantin
  • Cystit
  • Furina
  • Nitoin
  • Urizept
  • Urodin
  • Urolong
  • Furadantine mc
  • Fur-ren
  • Benkfuran
  • Dantafur
  • Furadantine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Orange-yellow needles from dil acetic acidexp.
Odour
ODORLESSexp.
Taste
HAS BITTER AFTERTASTEexp.
Melting point
263 °Cexp.
Solubility
Soly (mg/100 ml): water (pH 7) 19.0, 95% ethanol 51.0, acetone 510, DMF 8000, peanut oil 2.1, glycerol 60, polyethylene glycol 1500.exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
238.16 g/molcalc.
Exact mass
238.0338 Dacalc.
LogP (octanol/water)
0.07calc.
Topological polar surface area
118.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CN(N=Cc2ccco2)C(=O)N1

O=C1CN(N=Cc2ccco2)C(=O)N1

2 rings, 14 atoms.

21 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H317May cause an allergic skin reaction.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (19)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Nitrofurantoin suppliers

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Where suppliers are based

122 suppliers in 24 countries

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Nitrofurantoin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

Pharmacological actions

  • Anti-Bacterial Agents
  • Anti-Infective Agents, Urinary

Roles

  • aetiopathogenetic role
  • antibacterial agent
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • hepatotoxic agent
  • pharmaceutical

Pharmacology

Nitrofurantoin is a Nitrofuran Antibacterial.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Nitrofurantoin (INN), Ref no: 251, Annex ref: II/251
  • Active ingredient in FDA approved drug labels

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitrofurantoin is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitrofurantoin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitrofurantoin, based on the data on this page

What is Nitrofurantoin?

Nitrofurantoin is an imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. It has a role as an antiinfective agent, an antibacterial drug and a hepatotoxic agent.

What is the CAS number of Nitrofurantoin?

The CAS registry number of Nitrofurantoin is 67-20-9. Other or deprecated CAS numbers: 178170-37-1.

What is the molecular formula and weight of Nitrofurantoin?

The molecular formula of Nitrofurantoin is C8H6N4O5 and its molar mass is 238.16 g/mol.

What is Nitrofurantoin used for?

Veterinary medication:.

Is Nitrofurantoin hazardous?

Nitrofurantoin carries the GHS signal word "Danger". Main hazards: harmful if swallowed, may cause an allergic skin reaction, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitrofurantoin?

Nitrofurantoin is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitrofurantoin?

CompoundList lists 122 suppliers of Nitrofurantoin in United States, China, India, Germany and 20 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Nitrofurantoin in India?

23 suppliers in India list Nitrofurantoin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Nitrofurantoin?

Suppliers quote Nitrofurantoin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Nitrofurantoin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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