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Levomefolate Calcium 500mg

CAT: 0628-A13668-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A13668-500Size:500 mg
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CAS Number
151533-22-1

Chemical Information

Levomefolate Calcium

Levomefolate calcium is an organic calcium salt of (6S)-5-methyltetrahydrofolic acid. It has a role as an antidepressant. It contains a (6S)-5-methyltetrahydrofolate(2-).

CAS Number151533-22-1
PubChem CID135564391
IUPAC Namecalcium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
Molecular FormulaC20H23CaN7O6
Molecular Weight497.5
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity854
SMILES
CN1[C@H](CNC2=C1C(=O)NC(=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
Chemical Structure
2D Structure
2D structure of Levomefolate Calcium
CAS: 151533-22-1
CID: 135564391
Formula: C20H23CaN7O6
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass497.1335723
Monoisotopic Mass497.1335723
Topological Polar Surface Area204 Ų
Heavy Atom Count34
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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