CHEMBL354055
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-propylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-propylamino]benzoyl]amino]pentanedioic acid|2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-propyl-amino]benzoyl]amino]pentanedioic acid|2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-propyl-amino]-benzoylamino}-pentanedioic acid|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](propyl)amino}benzoyl)glutamic acid
CAS: 77337-37-2
| Molecular Formula | C22H26N8O5 |
|---|---|
| Molecular Weight | 482.2026 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.2026 |
| Monoisotopic Mass | 482.2026 |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 77337-37-2 |
|---|---|
| SMILES | CCCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | OXKVXUQXNRYHMZ-UHFFFAOYSA-N |
Product Overview
CHEMBL354055 (CAS 77337-37-2), with molecular formula C22H26N8O5 and molecular weight 482.2026 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-propylamino]benzoyl]amino]pentanedioic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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