Catalog Number:
AG001NEC
Chemical Name:
Calcium levomefolate
CAS Number:
151533-22-1
Molecular Formula:
C20H23CaN7O6
Molecular Weight:
497.5179
MDL Number:
MFCD18642975
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
SMILES:
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)NC[C@H]1CNc2c(N1C)c(=O)[nH]c(n2)N.[Ca+2]
UNII:
A9R10K3F2F
