Methotrexate
Details
- Name
- Methotrexate
- Structure
- Formula
- C20H22N8O5
- Average Molecular Weight
- 454.4393 g/mol
- Monoisotopic Weight
- 454.171315854 g/mol
- IUPAC Traditional name
- ethane
- IUPAC name
- (2S)-2-[(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
- InChI Key
- FBOZXECLQNJBKD-ZDUSSCGKSA-N
- 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
- SMILES
[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(O)=O
Drug Relations
- Drug Relations
DrugBank ID Name Drug group Pharmacological action? Actions Details