Aminopterin
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: aminopterin|4-Aminofolic acid|Aminopterine|4-Amino-PGA|Pteramina|Aminopteridine|Aminopterinum|Aminotrexate|APGA|A-Ninopterin|Minopterin|4'-Amino-folsaeure|Pteramina [Czech]|4-Aminopteroylglutamic acid|Folic acid, 4-amino-|4-Aminopteroic acid|Aminopterin hydrate|Kyselina 4-aminolistova|Aminopteroylglutamic acid|Aminopterin, powder|Aminofolic acid, 4-|Sodium, Aminopterin|Methotrexate EP Impurity B|AGPA|4-Amino Folic Acid|4-Amino-4-deoxypteroylglutamate|Aminopterin (Standard)|Methotrexate related compound b|4-Amino pteroylglutamic acid|Methotrexate Impurity B|4kn1|4'-Desoxy-4'-aminofolsaeure|AMINOPTERIN SODIUM|AMINOPTERIN [MI]|AMINOPTERIN 25MG|Disodium Salt Aminopterin|Kyselina 4-aminopteroylglutamova|AMINOPTERIN [HSDB]|54-62-6 (free acid)
| Molecular Formula | C19H20N8O5 |
|---|---|
| Molecular Weight | 440.15567 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15567 |
| Monoisotopic Mass | 440.15567 |
| Heavy Atoms | 32 |
| Complexity | 674.0 |
| Melting Point | 225 |
| Solubility | 3.0X103 mg/L |
| Vapor Pressure | 2.3X10-19 mg Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 6320-55-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | TVZGACDUOSZQKY-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminopterin (CAS 6320-55-4), with molecular formula C19H20N8O5 and molecular weight 440.15567 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
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