AG00800F

134-35-0 | 5-Methyltetrahydrofolic Acid Calcium Salt Trihydrate (Mixture of Diastereomers)

AG00800F

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CAS Number	134-35-0
Catalog Number	AG00800F(AGN-PC-0PK8L9)
Chemical Name	5-Methyltetrahydrofolic Acid Calcium Salt Trihydrate (Mixture of Diastereomers)
EC Number	603-809-2
IUPAC Name	(2S)-2-[[4-[(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-ABLWVSNPSA-N
MDL Number	MFCD00900533
Molecular Formula	C20H25N7O6
Molecular Weight	459.4558
SMILES	O=C(O)[C@@H](NC(C1=CC=C(NCC2N(C)C3=C(N=C(N)NC3=O)NC2)C=C1)=O)CCC(O)=O
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, Prefolic A, 5-METHYLTETRAHYDROFOLIC ACID, 5-Methyltetrahydrofolate, 134-35-0, 5-Methyltetrahydropteroylglutamate, 5-methyl-tetrahydrofolate, (2S)-2-(4-(((2-Amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid, W-201118, N5-Methyl-tetrahydrofolic acid, CH3-FH4, n5-methyltetrahydrofolate, 5-Methyl terahydrofolic acid, N(sup 5)-Methyltetrahydrofolate, 5-Methyltetrahydropteroyl monoglutamate, n-methyltetrahydrofolate, n5-methyltetrahydrofolic acid, SCHEMBL4727836, CHEMBL1221561, N5-Methyltetrahydropteroylglutamate, 5-methyltetrahydropteroylglutamic acid, AKOS030242298, AKOS030528293, API0013673, DB04789, 5-methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid, (2S)-2-(4-((2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methylamino)benzamido)pentanedioic acid, (4-(((2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamic acid, L-Glutamic acid, N-(4-(((2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, Methyl folate, Deplin, mefolinate, L-methylfolate, Levomefolic acid, L-methyl folate, UNII-TYK22LML8F, N-methyltetrahydrofolic acid, TYK22LML8F, N(5)-methyltetrahydrofolic acid, 6-Acetamido-6-deoxycastanospermine, C20H25N7O6, C20-H25-N7-O6, CID9825434, 5-methyltetrahydrofolate, (DL-Glu)-isomer, 5-methyltetrahydrofolate, (L-Glu)-(R)-isomer, 5-methyltetrahydrofolate, (L-Glu)-(S)-isomer, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, C005984, 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, (S)-N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid, 31690-09-2,

Complexity	865
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number