Methotrexate
Also called amethopterin and MTX.
A folate blocker used at low strength for rheumatoid arthritis and psoriasis and at high strength as a cancer medicine.
Sources and notes
- The introductionfrom sourceMoleculeFinder curated
- Other namesfrom sourceWikidataIts English label and aliases on 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. Methotrexate on the product labels we hold.
Medicines
Every product and list we hold
Sources and notes
- The product labels and their strengthsfrom sourceDailyMed (FDA label)Each label lists the molecule as an ingredient, and an active ingredient at the strength shown.
- How it gets therefrom sourceMoleculeFinder curatedEach mark is set by hand on our lists, never inferred; a label's ingredient is added by the maker. A row with no mark data says Not marked.
- The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.
Explore its structure
Choose a part to light it up.
A carbon carrying both a C=O and an O-H, written COOH. In water it gives up that hydrogen, which is what makes the molecule an acid.
From: standard chemistry.
A C=O bonded to a nitrogen, the same link that joins amino acids in a protein. It is sturdy, and its nitrogen is not a base the way an amine's is.
From: standard chemistry.
Six carbons in a flat hexagon, sharing their electrons evenly around the ring. It is stable, flat and oily, and it stacks readily against other flat rings.
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
- C20H22N8O5
- Molecular weight
- 454.4 g/mol
- XLogP3octanol/water, log units
- −1.8
- Polar surface areatopological
- 211 Ų
- H-bond donors
- 5
- H-bond acceptors
- 12
- Rotatable bonds
- 9
- Complexity
- 704
Reported Hazard label (GHS), ECHA via PubChem
Danger Toxic pictogram (GHS06), Irritant pictogram (GHS07) and Health hazard pictogram (GHS08); hazard statements H301, H315, H319, H340, H360
Reported Licence
The US Food and Drug Administration licenses Methotrexate for human use (NDA 011719, authorized August 10, 1959). Drugs@FDA
Groups it belongs to
- Category
- Prescription medicine
- Family
- Cancer medicines
- Chemical groups
- Carboxylic Acids, Amines, Aromatics, Amides
- Elements
- Nitrogen
- Hazard classes
- Acutely toxic, Irritant, Health hazard, GHS Danger
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)OPubChem CID 126941 · Wikidata Q422232 · InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-N · Data refreshed
Questions
- What is Methotrexate?
- A folate blocker used at low strength for rheumatoid arthritis and psoriasis and at high strength as a cancer medicine.
- How toxic is Methotrexate?
- Its GHS hazard label carries the signal word Danger and the hazard pictograms Toxic, Irritant and Health hazard. from source
- What kind of molecule is Methotrexate?
- Methotrexate has the formula C20H22N8O5 and a molecular weight of 454.4 g/mol. MoleculeFinder files it under cancer medicines, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
- What else is Methotrexate called?
- Methotrexate is also called amethopterin and MTX. from source
- Who licenses Methotrexate as a medicine?
- The US Food and Drug Administration licenses Methotrexate for human use (NDA 011719, authorized August 10, 1959). from source
Sources and notes
- Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
- 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
Keep exploring
Sources and notes
- Similar in shapecomputedRDKit Morgan/TanimotoNeighbours by structural fingerprint; the sentence names the chemical groups the two share.
- The drawingscomputedPubChem structures, drawn by RDKit