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methotrexate(2-)

CHEBI:CHEBI_50681

Chemical Information

Molecular Formula
C20H20N8O5
Molecular Mass
452.42372
Charge
-2
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
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)/p-2/t13-/m0/s1
InChIKey
FBOZXECLQNJBKD-ZDUSSCGKSA-L

Alternative Names

  • methotrexate
  • (2S)-2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Beilstein:6081035
core#notation
CHEBI:50681

Additional References

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_50680
owl#annotatedSource
t238637
owl#someValuesFrom
t238456
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Beilstein:6081035
oboInOwl#id
CHEBI:50681
core#notation
CHEBI:50681
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_50680
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class