Aminopterin
Aminopterin Structure
Systematic / IUPAC Name: N-(4-{[(2,4-Diamino-6-pteridinyl)methyl]amino}benzoyl)glutamic acid
ID: Reference2852
Other Names:
N-[(4-{[(2,4-Diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid;
2-(4-((2,4-Diaminopteridin-6-YL)methylamino)benzamido)pentanedioic acid;
4-Aminofolate;
4-Aminofolic acid;
4-Aminopteroylglutamic acid
; more
Formula: C19H20N8O5
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Spectral Data
Aminopterin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/23/2015 6:28:06 AM |
Identificators
| InChI | InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27) |
| InChI Key | TVZGACDUOSZQKY-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| CAS | 54626 |
| Splash | |
| Other Names |
N-[(4-{[(2,4-Diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid; 2-(4-((2,4-Diaminopteridin-6-YL)methylamino)benzamido)pentanedioic acid; 4-Aminofolate; 4-Aminofolic acid; 4-Aminopteroylglutamic acid; Aminofolic acid, 4-; Aminopterine; Aminopteroylglutamic acid |
In Other Databases
| ChEMBL | CHEMBL274619 |
| PubChem | 2154 |
| Wikipedia | Aminopterin |
| ChemSpider | 2069 |
| HMDb | HMDB01833 |
| ChemIDPlus | 007551066; 058602667; 007007854 |