AC1L8R6U
2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid|L-Glutamic acid,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]ethylamino]benzoyl]-|N-(3,5-Dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](ethyl)amino}benzoyl)glutamic acid
CAS: 70280-74-9
| Molecular Formula | C21H22Cl2N8O5 |
|---|---|
| Molecular Weight | 536.109 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.109 |
| Monoisotopic Mass | 536.109 |
| Heavy Atoms | 36 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 70280-74-9 |
|---|---|
| SMILES | CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl |
| InChIKey | RUSBCHWNOCHWHN-UHFFFAOYSA-N |
Product Overview
AC1L8R6U (CAS 70280-74-9), with molecular formula C21H22Cl2N8O5 and molecular weight 536.109 g/mol. IUPAC: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]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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