AC1Q5SF8
2-[[4-[(2,4-diamino-7-methylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[(2,4-diamino-7-methylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|n-(4-{[(2,4-diamino-7-methylpteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid
CAS: 35377-46-9
| Molecular Formula | C21H24N8O5 |
|---|---|
| Molecular Weight | 468.18695 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.18695 |
| Monoisotopic Mass | 468.18695 |
| Heavy Atoms | 34 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 35377-46-9 |
|---|---|
| SMILES | CC1=C(N=C2C(=NC(=NC2=N1)N)N)CN(C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
| InChIKey | LSMLPYTURQERPR-UHFFFAOYSA-N |
Product Overview
AC1Q5SF8 (CAS 35377-46-9), with molecular formula C21H24N8O5 and molecular weight 468.18695 g/mol. IUPAC: 2-[[4-[(2,4-diamino-7-methylpteridin-6-yl)methyl-methylamino]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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