DL-Methotrexate
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
| Molecular Formula | C20H22N8O5 |
|---|---|
| Molecular Weight | 454.4 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 211.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.17133 |
| Heavy Atoms | 33 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 60388-53-6 |
|---|---|
| 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 |
| InChIKey | FBOZXECLQNJBKD-UHFFFAOYSA-N |
📖 Product Overview
DL-Methotrexate (CAS: 60388-53-6) is a chemical compound with molecular formula C20H22N8O5 and molecular weight 454.4 g/mol. Its IUPAC systematic name is 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
FBOZXECLQNJBKD-UHFFFAOYSA-N.
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.
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