Basic information
- CAS
79573-48-1- Standard SMILES
CN1C(=O)c2nc(N)nc(=O)n2CC1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1- InChIKey
AFIMZPFBSYESNQ-ABLWVSNPSA-N- Molecular formula
- C20H23N7O7
- Average molar mass
- 473.4 g/mol
- Monoisotopic mass
- 473.1658961
Names & identifiers
- Preferred name
- Mefox
- IUPAC
- (2S)-2-[[4-[(2-amino-8-methyl-4,9-dioxo-6,7-dihydropyrazino[1,2-a][1,3,5]triazin-7-yl)methylamino]benzoyl]amino]pentanedioic acid
- English name
- N-[4-[[(2-AMino-6,7,8,9-tetrahydro-8-Methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)Methyl]aMino]benzoyl]-L-glutaMic Acid
- Molecular formula
- C20H23N7O7
- Molecular weight
- 473.44
Names & synonyms
Mefox79573-48-18XT1003K1NL-Glutamic acid, N-(4-(((2-amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino(1,2-a)-1,3,5-triazin-7-yl)methyl)amino)benzoyl)-RefChem:1088908(6RS)-MefoxN-[4-[[(2-Amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)methyl]amino]benzoyl]-L-glutamic Acid(4-(((2-amino-8-methyl-4,9-dioxo-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a][1,3,5]triazin-7-yl)methyl)amino)benzoyl)-L-glutamic acid(2S)-2-[[4-[(2-amino-8-methyl-4,9-dioxo-6,7-dihydropyrazino[1,2-a][1,3,5]triazin-7-yl)methylamino]benzoyl]amino]pentanedioic acidorb1696164SCHEMBL29742244DTXSID401366150
Show more names
(6S)-MefoxFolic Acid Impurity 23Folic Acid Impurity 30Folic acid impurities1Folic acid impurities488Folic acid impurities483Pyrazino-s-triazine derivative (Mefox)(6RS)-Mefox (Mixture of Diastereomers)
AKOS040752988DB-298663HY-121652CS-0082965H62430T33275Q27271171N-[4-[[(2-Amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)methyl]amino]benzoyl]-L-glutamic Acid; N-[4-[[(2-Amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)methyl]amino]benzoyl]-L-glutamic Acid
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 926
Physicochemical properties
- Density
- 1.656 · 1.656±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.604 · 3.604±0.10(predicted)
- FDA UNII
- 8 XT1003K1N · 8XT1003K1N
Chemistry & industry
Applications
UsesAn impurity of Levomefolate (L375720), the natural form of folic acid and a more bioavailable alternative in dietary supplements.
Suppliers21 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Related reactions
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Compound notes
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