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IUPAC Name: Calcium(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
Following is the structure of Levomefolate calcium (CAS NO.151533-22-1):
Empirical Formula: C20H23CaN7O6
Molecular Weight of Levomefolate calcium (CAS NO.151533-22-1): 497.5179
Canonical SMILES: CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].
[Ca+2]
Isomeric SMILES: CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
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
InChIKey: VWBBRFHSPXRJQD-QNTKWALQSA-L
Levomefolate calcium , its cas register number 151533-22-1. It also can be called 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) ; BAY 86-7660 ; BAY86-7660 ; Bodyfolin ; Calcium N-(4-((((6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzoyl)-L-glutamate ; LMCA ; Levomefolinate calcium ; and UNII-A9R10K3F2F . Its classification code are Prevention of folate deficiency and Treatment of folate deficiency.