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methotrexate(1-)

CHEBI:CHEBI_50680

Chemical Information

Molecular Formula
C20H21N8O5
Molecular Mass
453.43166
Charge
-1
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-1/t13-/m0/s1
InChIKey
FBOZXECLQNJBKD-ZDUSSCGKSA-M

Alternative Names

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

Treatment Applications

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:5197927
core#notation
CHEBI:50680

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

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Beilstein:5197927
oboInOwl#id
CHEBI:50680
core#notation
CHEBI:50680
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_50681
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_44185
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_113353
owl#someValuesFrom
t238421
owl#annotatedSource
t238609