methotrexate(1-) (Q27122182)

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chemical compound
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Language Label Description Also known as
English
methotrexate(1-)
chemical compound

    Statements

    mass
    453.16403935190993 dalton
    1 reference
    based on heuristic
    inferred from isomeric SMILES
    chemical formula
    C₂₀H₂₁N₈O₅⁻
    1 reference
    based on heuristic
    inferred from SMILES
    canonical SMILES
    CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-]
    1 reference
    stated in
    PubChem
    PubChem CID
    24906325
    language of work or name
    English
    title
    CHEBI:50680 (English)
    retrieved
    6 October 2016
    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-]
    1 reference
    stated in
    PubChem
    PubChem CID
    24906325
    language of work or name
    English
    title
    CHEBI:50680 (English)
    retrieved
    6 October 2016

    Identifiers

    ChemSpider ID
    21865776
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    21865776
    language of work or name
    English
    title
    (2S)-4-Carboxy-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]butanoate (English)
    retrieved
    6 October 2016
    Reaxys registry number
    5197927
    1 reference
    stated in
    ChEBI
    ChEBI ID
    50680
    language of work or name
    English
    title
    methotrexate(1-) (English)
    retrieved
    6 October 2016
     
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