AG001NEC

151533-22-1 | L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-, calcium salt (1:1)

AG001NEC

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CAS Number	151533-22-1
Catalog Number	AG001NEC(AGN-PC-0Q62S1)
Chemical Name	L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-, calcium salt (1:1)
IUPAC Name	calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
InChI	InChI=1S/C20H25N7O6.Ca/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);/q;+2/p-2/t12-,13-;/m0./s1
InChI Key	VWBBRFHSPXRJQD-QNTKWALQSA-L
MDL Number	MFCD18642975
Molecular Formula	C20H23CaN7O6
Molecular Weight	497.5179
SMILES	O=C([O-])[C@@H](NC(C1=CC=C(NC[C@@H]2N(C)C3=C(N=C(N)NC3=O)NC2)C=C1)=O)CCC([O-])=O.[Ca+2]
UNII	A9R10K3F2F
Synonyms	levomefolate calcium, metafolin, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid calcium salt, safyral, 151533-22-1, Levomefolate calcium, Levomefolate (calcium), Calcium levomefolate, UNII-A9R10K3F2F, LMCA, Levomefolinate calcium, Levomefolate calcium [USAN], A9R10K3F2F, Metafolin, Metafolin (TN), Levomefolate calcium (USAN), (S)-2-(4-((((S)-2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, calcium salt, L-5-Methyltetrahydrofolate calcium, L-methylfolate Calcium, N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid calcium salt, Deplin, Levomefolatecalcium, BAY86-7660, BAY 86-7660, CHEMBL1615371, AN-765, MFCD15146358, AKOS025117256, AKOS025402270, AC-7457, CS-1066, GS-6017, KS-0000266Z, BC254573, HY-17383, SC-99503, FT-0670776, D09354, UNII-9I291HQ60G component VWBBRFHSPXRJQD-QNTKWALQSA-L, L-Methylfolate calcium salt|||5-Methyl-tetrahydrofolate calcium salt|||Metafolin|||LMCA, calcium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate, calcium (2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioate, calcium (4-((((S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamate, Calcium N-(4-((((6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamate, L-Glutamic acid, N-(4-((((6S)-2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, calcium salt (1:1), L-Glutamic acid, N-[4-[[[(6S)-2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-, calcium salt (1:1), Nutrifolin, Bodyfolin, L-5-Methyletrahydrofolate calcium, Calcium L-5-methyltetrahydrofolate, ACN-034458, L-5-Methyltetrahydrofolate calcium, 97% - 100MG 100mg, Calcium (S)-2-(4-((((S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)-4-carboxybutanoate, N-(4-(((2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino\r\n)benzoyl)-L-glutamic acid calcium salt,

Complexity	854
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	497.134g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	497.525g/mol
Monoisotopic Mass	497.134g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	204A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number