Methotrexate
| Chemical identification | |
|---|---|
| Pubchem identifier | 126941 |
| CAS identifier | 59-05-2 |
| IUPAC name | Methotrexate |
| Structure | 2D:2D MOL2D MOL22D SDF 3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT |
| 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 |
| 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 |
| InChIKey | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
| Synonyms | 4-Amino-10-methylfolic acid; 4-Amino-N(sup 10)-methylpteroylglutamic acid; 4-Aminomethylpteroylglutamic acid; Abitrexate; alpha-Methopterin; Amethopterin; Amethopterin L-; Antifolan; Brimexate; CL-14377; EMT 25,299; Emtexate; Emthexat; Emthexate; Farmitrexat; Fauldexato; Folex; Folex PFS; Folex-Pfs; Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-; Hdmtx; Kyselina 4-amino-N(sup 10)-methylpteroylglutamova; Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova; L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic acid; L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-; Lantarel; Ledertrexate; Lumexon; Maxtrex; Medsatrexate; Metatrexan; Metex; Methoblastin; Methotrexate; Methotrexate LPF; Methotrexate, L-; Methotrexatum; Methylaminopterin; Methylaminopterinum; Metotressato; Metotrexato; Metrotex; Mexate; Mexate-AQ; N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid; N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic acid; N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic acid; N-Bismethylpteroylglutamic acid; Novatrex; Otrexup; Rasuvo; Rheumatrex; Texate; Tremetex; Trexeron; Trixilem; Xatmep |
| External identifiers | D008727 |