AG0039B6

Name: (S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
Brand: Angene Chemical
SKU: AG0039B6

31690-09-2 | (S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid

Chemical structure of (S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid, CAS 31690-09-2

AG0039B6

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CAS Number	31690-09-2
Catalog Number	AG0039B6(AGN-PC-0R72LV)
Chemical Name	(S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
EC Number	603-809-2
IUPAC Name	(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
InChI	InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
InChI Key	ZNOVTXRBGFNYRX-STQMWFEESA-N
MDL Number	MFCD00870135
Molecular Formula	C20H25N7O6
Molecular Weight	459.4558
SMILES	CN1C2=C(NC[C@@H]1CNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)NC(N)=NC2=O
UNII	8S95DH25XC
Synonyms	5-methyltetrahydrofolate, 5-methyltetrahydrofolate, (DL-Glu)-isomer, 5-methyltetrahydrofolate, (L-Glu)-(R)-isomer, 5-methyltetrahydrofolate, (L-Glu)-(S)-isomer, 5-methyltetrahydrofolate, calcium salt (1:1), (L-Glu)-isomer, 5-methyltetrahydrofolate, methyl-(14)C-labeled, (DL-Glu)-isomer, 5-methyltetrahydrofolate, methyl-(14)C-labeled, (L-Glu)-isomer, 5-methyltetrahydrofolic acid, 5-methyltetrahydropteroylglutamate, CH3-FH4, deplin, L-methyl folate, L-methylfolate, levomefolic acid, mefolinate, methyl folate, N(5)-methyltetrahydrofolic acid, Prefolic A, Levomefolic acid, 31690-09-2, LMSR, Levomefolinic acid, LEVOMEFOLATE, 5-Methyltetrahydrofolate, L-5-Methyltetrahydrofolate, UNII-8S95DH25XC, Metafolin, 8S95DH25XC, CHEBI:15641, (6s)-5-methyltetrahydrofolic acid, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, C20H25N7O6, [(6S)-5-methyl-5,6,7,8-tetrahydropteroyl]glutamate, (S)-2-(4-((((S)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid, Metafolin (TN), 5-METHYLTETRAHYDROFOLIC ACID, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, L-methylfolate, (6S)-5-methyltetrahydrofolate, (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid, C2F, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THH, 134-35-0, Levomefolinic acid [USAN], 5-Methyltetrahydropteroyl monoglutamate, AC1L9G9V, L-5-MTHF, SCHEMBL79586, Levomefolic acid (USAN/INN), Levomefolic acid [USAN:INN], L-5-Methyltetrahydrofolic acid, CHEMBL1231574, SCHEMBL12704423, (6S)-5-MTHF, (See also L375720)"", DTXSID00185583, CHEBI:136009, ZNOVTXRBGFNYRX-STQMWFEESA-N, ZINC2005305, 5-methyl-(6s)-tetrahydrofolic acid, 3779AH, BDBM50391007, MFCD00870135, AKOS016008744, AKOS025402272, AC-7460, AN-9013, CS-1067, DB11256, NCGC00485934-01, AJ-89893, AJ-89894, AK110335, HY-14781, L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, (S)-, AX8227545, FT-0670777, (6s)-5-methyl-5,6,7,8-tetrahydrofolic acid, C00440, D09353, W-5178, 690L092, J-018513, UNII-TYK22LML8F component ZNOVTXRBGFNYRX-STQMWFEESA-N, (2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid, L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-, N-(4-((((6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid, N-[4-[[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-glutamic acid, N-{[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, N-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, Methyl folate, Nutrifolin, Bodyfolin, Deplin, Prefolic A, Levomefolate calcium, METHYLFOLATE, Levomefolate magnesium, L-methylfolate Calcium, UNII-TYK22LML8F, Levomefolic acid [USAN], 5-Methyl terahydrofolic acid, CH3-FH4, N5-Methyl-tetrahydrofolic acid, N(sup 5)-Methyltetrahydrofolate, C20H25NO6, 5-Methyltetrahydropteroylglutamate, CID444412, C20-H25-N7-O6,

Complexity	865
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	459.187g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	459.463g/mol
Monoisotopic Mass	459.187g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	199A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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