Methotrexate-polylysine
(2S)-2,6-diaminohexanoic acid;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: Methotrexate-polylysine|C20-H22-N8-O5.x-(C6-H14-N2-O2)x-|n-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-l-glutamato(2-)- l-lysinato(2-)(1:1)|(2S)-2,6-diaminohexanoic acid; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid|(2S)-2,6-diaminohexanoic acid; (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid--L-lysine (1/1)|N-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid--lysine (1/1)
| Molecular Formula | C26H36N10O7 |
|---|---|
| Molecular Weight | 600.27686 g/mol |
| LogP | -0.2043 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 600.27686 |
| Monoisotopic Mass | 600.27686 |
| Heavy Atoms | 43 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 79639-30-8 |
|---|---|
| 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.C(CCN)C[C@@H](C(=O)O)N |
| InChIKey | BJJFTSODVHTNCO-NPWGDTHSSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methotrexate-polylysine (CAS 79639-30-8), with molecular formula C26H36N10O7 and molecular weight 600.27686 g/mol. IUPAC: (2S)-2,6-diaminohexanoic acid;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
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