methotrexate (Q35)

From Chemical Compounds of Interest
Revision as of 19:30, 1 August 2024 by Egonw (talk | contribs) (‎Created claim: part of (P21): AOP-Wiki Prototypical Stressors (Q4761), #quickstatements; #temporary_batch_1722540595969)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search
chemical compound
Language Label Description Also known as
English
methotrexate
chemical compound

    Statements

    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
    1 reference
    based on heuristic
    inferred from SMILES
    chemical formula
    C₂₀H₂₂N₈O₅
    1 reference
    based on heuristic
    inferred from SMILES
    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
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    537
    0 references
     
    Retrieved from "https://compoundcloud.wikibase.cloud/w/index.php?title=Item:Q35&oldid=6025"