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Analgesics and anti-inflammatories

Methotrexate

Also known as Rheumatrex, Amethopterin, Metatrexan

CAS 59-05-2Formula C20H22N8O5Molar mass 454.45 g/molEC 200-413-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard 160 suppliers listed Drug substance
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Methotrexate chemical structure, C20H22N8O5, CAS 59-05-2
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Orange-brown, crystalline powder
Melting point
185 to 204
Solubility
Insoluble in water , alcohol, chloroform, ether, slightly soluble in dilute hydrochloric…
HS code
293359
Category
Analgesics and anti-inflammatories
UN number
UN 3249
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Methotrexate?

Plain description, key identifiers and synonyms

Methotrexate is a member of pteridines, a monocarboxylic acid amide and a dicarboxylic acid. It has a role as an antimetabolite, an antineoplastic agent, an immunosuppressive agent, an antirheumatic drug, a dermatologic drug, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an abortifacient and a DNA synthesis inhibitor. It is functionally related to a L-glutamic acid. It is a conjugate acid of a methotrexate(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
CAS number
59-05-2 CAS number cross-checkedOther or deprecated CAS: 102613-64-9
EC number
200-413-8
Molecular formula
C20H22N8O5
UNII
YL5FZ2Y5U1
MDL number
MFCD00064370
InChIKey
FBOZXECLQNJBKD-ZDUSSCGKSA-N
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
Canonical SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
Isomeric SMILES
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)O

Synonyms

  • Rheumatrex
  • Amethopterin
  • Metatrexan
  • Hdmtx
  • Ledertrexate
  • Methylaminopterinum
  • Methotrexatum
  • Metotrexato
  • Antifolan
  • Rasuvo
  • Emtexate
  • L-Amethopterin
  • Amethopterine
  • Maxtrex
  • Farmitrexat
  • Medsatrexate
  • Methoblastin
  • Methotextrate
  • Methotrexat
  • Brimexate
  • Emthexat
  • Emthexate
  • Fauldexato
  • Lantarel
  • Lumexon
Show all 39 synonyms
  • Metrotex
  • Novatrex
  • Otrexup
  • Tremetex
  • Trexeron
  • Trixilem
  • Texate
  • Metex
  • Jylamvo
  • EMT 25,299
  • CL 14377
  • Reditrex
  • (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
  • 4-amino-N(10)-methylpteroylglutamic acid

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-brown, crystalline powderexp.
Melting point
185 to 204exp.
Solubility
Insoluble in water , alcohol, chloroform, ether, slightly soluble in dilute hydrochloric acid, soluble in dil solns of alkali hydroxides and carbonates.exp.
Vapour pressure
2.1 × 10⁻¹⁹ mm Hg at 25 °C /Estimated/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
454.45 g/molcalc.
Exact mass
454.1713 Dacalc.
LogP (octanol/water)
0.27calc.
Topological polar surface area
210.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
9calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(NCc2cnc3ncncc3n2)cc1

c1ccc(NCc2cnc3ncncc3n2)cc1

3 rings, 18 atoms.

202 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H340May cause genetic defects.
  • H360May damage fertility or the unborn child.
Precautionary statements (16)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3249

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

Methotrexate suppliers

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All 160 suppliers
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Where suppliers are based

160 suppliers in 22 countries

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Methotrexate price

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Uses and applications

What the substance is used for, by industry and function

Medication: Methotrexate is a folic acid antagonist approved for the treatment of severe, recalcitrant, disabling psoriasis that is not adequately responsive to other forms of therapy.

An insect chemosterilant.

Use classes: Pharmaceuticals.

Pharmacological actions

  • Abortifacient Agents, Nonsteroidal
  • Antimetabolites, Antineoplastic
  • Antirheumatic Agents
  • Dermatologic Agents
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Immunosuppressive Agents
  • Nucleic Acid Synthesis Inhibitors

Roles

  • DNA synthesis inhibitor
  • abortifacient
  • anti-HIV agent
  • anti-anaemic agent
  • anti-asthmatic agent
  • anti-inflammatory agent
  • antifibrotic agent
  • antiinfective agent
  • antimalarial
  • antimetabolite
  • antimicrobial drug
  • antineoplastic agent
  • antiprotozoal drug
  • antipsoriatic
  • antipsychotic agent
  • antirheumatic drug
  • antiviral agent
  • cardiovascular drug
  • dermatologic drug
  • gout suppressant
  • immunomodulator
  • immunosuppressive agent
  • ophthalmology drug
  • pharmaceutical

Pharmacology

Methotrexate is a Folate Analog Metabolic Inhibitor. The mechanism of action of methotrexate is as a Folic Acid Metabolism Inhibitor.

How it is made

Condensation of 2,3-dibromopropionaldehyde with 2,4,5,6-tetraaminopyrimidine to produce 6-bromomethyl-2,4-diaminopteridine and further condensation of this with N-(para-(methylamino)benzoyl)glutamic acid to yield methotrexate.

Preparation: J.M. Smith, D.B. Cosulich, US 2512572 (1959 to Cyanamid)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Methotrexate (INN), Ref no: 6, Annex ref: II/6
  • 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 Methotrexate is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Methotrexate?

Methotrexate is a member of pteridines, a monocarboxylic acid amide and a dicarboxylic acid.

What is the CAS number of Methotrexate?

The CAS registry number of Methotrexate is 59-05-2. Other or deprecated CAS numbers: 102613-64-9.

What is the molecular formula and weight of Methotrexate?

The molecular formula of Methotrexate is C20H22N8O5 and its molar mass is 454.45 g/mol.

What is Methotrexate used for?

Medication: Methotrexate is a folic acid antagonist approved for the treatment of severe, recalcitrant, disabling psoriasis that is not adequately responsive to other forms of therapy. An insect chemosterilant. Use classes: Pharmaceuticals.

Is Methotrexate hazardous?

Methotrexate carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methotrexate?

Methotrexate is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methotrexate?

CompoundList lists 160 suppliers of Methotrexate in China, United States, India, Germany and 18 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Methotrexate in India?

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

What is the price of Methotrexate?

Suppliers quote Methotrexate 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 Methotrexate

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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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