moleculefinder

Nitrofurantoin

C8H6N4O5238.16 g/mol Calculated

Also called Furadantin, Furadontin, Furalan and Ituran.

An antibiotic that concentrates in urine, so it is used almost exclusively for bladder infections. Nitrofurantoin (C8H6N4O5, 238 g/mol) is an antibiotic dispensed on prescription.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourcePubChem / Wikidata
  • Formula and weightcomputedPubChem
  • 2D drawingcomputedPubChem structure, drawn by RDKit
  • 3D modelfrom sourcePubChem 3D conformerLoaded after the page has painted, and on a phone only when you ask for it; the 2D drawing shows until it arrives.

Where you encounter it

Dispensed on prescription, not sold on a shelf.

Sources and notes
  • The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.

Explore its structure

Choose a part to light it up.

A nitrogen between two C=O groups. Both pull on the nitrogen, so a hydrogen on it comes off far more easily than one on an ordinary amide.

From: standard chemistry.

Sources and notes
  • The drawingcomputedPubChem structure, drawn by RDKitThe page's one shipped drawing, with the chosen part lit in amber under it.
  • The partscomputedFound by ruleEach part is found by a chemical pattern, never picked by hand atom by atom; its words say where they come from.

Properties and sources

Calculated by PubChem

Molecular formula
C8H6N4O5
Molecular weight
238.16 g/mol
XLogP3octanol/water, log units
−0.5
Polar surface areatopological
121 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Complexity
390

Measured LD50, HSDB via PubChem

604 mg/kg pure nitrofurantoin, rat, oral

An LD50 is an animal study measurement, not a dose for a person.

Reported Hazard label (GHS), ECHA via PubChem

Danger Irritant pictogram (GHS07) and Health hazard pictogram (GHS08); hazard statements H302, H317, H334

Reported Licence

The US Food and Drug Administration licenses Nitrofurantoin for human use (NDA 009175, authorized December 23, 1953), as Furadantin. Drugs@FDA

Groups it belongs to

Category
Prescription medicine
Family
Antibiotics
Chemical groups
Amides
Elements
Nitrogen
Hazard classes
Irritant, Health hazard, GHS Danger
SMILESC1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]

PubChem CID 6604200 · Wikidata Q422669 · InChIKey NXFQHRVNIOXGAQ-YCRREMRBSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Nitrofurantoin?
An antibiotic that concentrates in urine, so it is used almost exclusively for bladder infections. Nitrofurantoin (C8H6N4O5, 238 g/mol) is an antibiotic dispensed on prescription.
How toxic is Nitrofurantoin?
The reported LD50 of Nitrofurantoin is 604 mg/kg (rat, oral). An LD50 is an animal study measurement, not a dose for a person. Its GHS hazard label carries the signal word Danger and the hazard pictograms Irritant and Health hazard. from sourcefrom source
What kind of molecule is Nitrofurantoin?
Nitrofurantoin has the formula C8H6N4O5 and a molecular weight of 238.16 g/mol. MoleculeFinder files it under antibiotics, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
Who licenses Nitrofurantoin as a medicine?
The US Food and Drug Administration licenses Nitrofurantoin for human use (NDA 009175, authorized December 23, 1953), as Furadantin. from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • LD50from sourceHSDB via PubChemOther values the sources report: mouse, oral, 360 mg/kg. The page shows the one LD50 the site uses everywhere.
  • Hazard labelfrom sourceECHA via PubChemThe label combines these classifications.
  • ECHAfrom sourceAttributionSource: European Chemicals Agency, echa.europa.eu.
  • Licencefrom sourceDrugs@FDARead 2026-10-21.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09