
Methotrexate
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-). — ChEBI
- IUPAC name
- (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
- Molecular formula
- C20H22N8O5
- Molecular weight
- 454.4 g/mol
- Exact mass
- 454.17131583 Da
- XLogP3
- -1.8
- Topological polar surface area
- 211.0 Ų
- Hydrogen-bond donors
- 5
- Hydrogen-bond acceptors
- 12
- Covalent units
- 1
- Defined stereocentres
- 1
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:44185
- ChEMBL:CHEMBL34259
- EPA DTXSID:DTXSID4020822
- PubMed:32020584
- PubMed:30415610
- PubMed:29268019
- PubMed:28117352
- PubMed:27379764
- PubMed:27210722
- PubMed:24284432
- PubMed:23895801
- PubMed:22968027
- PubMed:22702814
- PubMed:22639782
- PubMed:22587841
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.