2-[[4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
Also Known As: EDATREXATE|10-EdAM|AC1L1HBO|Edatrexate [USAN:INN]|Edatrexatum [INN-Latin]|Edatrexato [INN-Spanish]|10-Ethyl-10-deazaaminopterin|10-Ethyl-10-deaza-aminopterin|10-Ethyl-10-dezaz-aminopterin|DICHLOROMETHYLTRIMETHYLGERMANE|CGP 30694|NCI60_008442|CGP 30694;NSC 626715|2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid|(4-(1-(2,4-diaminopteridin-6-yl)butan-2-yl)benzoyl)glutamic acid|N-(p-(1-((2,4-Diamino-6-pteridinyl)methyl)propyl)benzoyl)-L-glutamic acid|2-[[4-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]benzoyl]amino]pentanedioic acid|2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid|2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid|2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM)|L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)propyl)benzoyl)-|N-[4-[1-[(2,4-Diamino-6-pteridinyl)-methyl]propyl]benzoyl]-L-glutamic acid|2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O)|2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA)|2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate)
| Molecular Formula | C22H25N7O5 |
|---|---|
| Molecular Weight | 467.1917 g/mol |
| LogP | 1.37 |
| Topological Polar Surface Area | 207.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 467.1917 |
| Heavy Atoms | 34 |
| Complexity | 1216.2 |
Chemical Identifiers
| CAS Number | 80576-83-6 |
|---|---|
| SMILES | CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
Product Overview
2-[[4-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid (CAS 80576-83-6), with molecular formula C22H25N7O5 and molecular weight 467.1917 g/mol. IUPAC: 2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid.
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