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[(Science: drug) analogue of dihydrofolate. inhibits dihydrofolate reductase and kills rapidly growing cells. therapeutic agent for leukaemias, but has a low therapeutic ratio.
pre_formula_key( "InChIKey=FBOZXECLQNJBKD-SGDZJVHDDX", "jqp046/126941.html" ); ?>
pre_formula( "InChI=1/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/f/h25,29,32H,21-22H2", "jqp046/126941.html" ); ?>
Molecular Formula:
C20H22N8O5
InChI: InChI=1/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/f/h25,29,32H,21-22H2
InChIKey: InChIKey=FBOZXECLQNJBKD-SGDZJVHDDX
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CAS number 59-05-2
Names:
METHOTREXATE
Methotrexate
methotrexate
MTX
N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
4-amino-N10-methylpteroylglutamic acid
4-amino-10-methylfolic acid
name_it( "InChI=1/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/f/h25,29,32H,21-22H2", "jqp046/126941.html" ); ?>
Registries:
pre_registry_key( "InChI=1/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/f/h25,29,32H,21-22H2", "InChIKey=FBOZXECLQNJBKD-SGDZJVHDDX", "jqp046/126941.html" ); ?>
PubChem CID 126941
Beilstein =70669
CAS 59-05-2 (from NIST)
ChEBI 6837
chemPDB MTX
PubChem ID 10241686
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