Compound: FOLITIXORIN
SMILES: O=c1nc([nH]c2c1N3C(CN2)CN(C3)c4ccc(C(=O)N[C@H](C(=O)O)CCC(=O)O)cc4)N
InChIKey: QYNUQALWYRSVHF-ABLWVSNPSA-N
Synonyms: FOLITIXORIN, 3432-99-3, Folitixorina, Folitixorine, Tetrahydromethylenefolate, 5,10-methylenetetrafolate, 0SXY5ET48B, 5,10-Methylene-5,6,7,8-tetrahydrofolic acid, N-[4-(3-Amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-L-glutamic Acid, N5,N10-Methylenetetrahydropteroylglutamic Acid, DTXSID90955873, n5,n10-methylenetetrahydrofolic acid, FOLIC ACID, TETRAHYDRO-N5,N10-METHYLENE-, N5,N10-methylene-5,6,7,8-tetrahydrofolic acid, L-Glutamic acid, N-(4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo(1,5-f)pteridin-8(9H)-yl)benzoyl)-, N-(4-(3-Amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo(1,5-f)pteridin-8(9H)-yl)benzoyl)-L-glutamic acid, CHEBI:1989, folitixorinum, RefChem:1072089, DTXCID901772693, 5,10-Methylenetetrahydrofolic acid, Folitixorin [INN], MFCD19443704, 5,10-Methylene-tetrahydrofolate, CH2H4folate, (2S)-2-[[4-(3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid, N-{4-[3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid, Folitixorin (~80%)(Mixture of Diastereomers), UNII-0SXY5ET48B, C20H23N7O6, (2S)-2-(4-(3-Amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzamido)pentanedioic acid, (2S)-2-[4-(3-Amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzamido]pentanedioic Acid, methylenetetrahydrofolate, Folitixorin (~80%), 5,10-Methylene-5,6,7,8-tetrahydrofolate, methylenetetrahydrofolic acid, FOLITIXORIN [WHO-DD], L-Glutamic acid,N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-, CHEMBL117348, Folitixorin (~80%) (Mixture of Diastereomers), orb1705138, SCHEMBL4097748, SCHEMBL4108452, SCHEMBL16413214, CHEBI:20502, QYNUQALWYRSVHF-ABLWVSNPSA-N, AKOS040744808, N5,N10-methylene-tetrahydrofolic acid, FM31365, HY-14769, MS-28345, N-[4-(3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-L-glutamic acid, SY411216, 5,10-methylene-(6RS)-tetrahydrofolic acid, DB-231418, 5 pound not10-METHYLENETETRAHYDROFOLATE, CS-0003550, Folitixorin; Calcium Folinate EP Impurity I, G14035, 5,10-Methylenetetrahydrofolate (MTHF/Folitixorin), 5,10-METHYLENETETRAHYDROFOLIC ACID [DSC], Q192838, 5,10-Methylene-5,6,7,8-tetrahydrofolic acid - mixture of diastereomers, (2S)-2-[[4-(3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid, (6aRS)-5,10-methylenetetrahydrofolic acid; (2S)-2-(4-(3-amino-1-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(1H,4H,9H)-yl)benzamido)pentanedioic acid
Theoretical properties:
molecular_formula: C20H23N7O6
molecular_weight: 457.4 g/mol
exact_mass: 457.17098148 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 10
rotatable_bond_count: 7
heavy_atom_count: 33
topological_polar_surface_area: 190 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 5,10-methylenetetrahydrofolic acid is a member of benzamides and a methylenetetrahydrofolic acid. It is a conjugate acid of a 5,10-methylenetetrahydrofolate(2-).
chembl: FOLITIXORIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
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