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  • Calcium levofolinate
Name:Calcium levofolinate
CAS No:80433-71-2

PRODUCT DESCRIPTION

【Name】
Calcium levofolinate
【Iupac name】
calcium
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,
8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
【CAS Registry number】
80433-71-2
【Synonyms】
CL 307,782
Isovorin
Levoleucovorin calcium [USAN]
Calcium N-(p-((((6S)-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamate (1:1)
L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, calcium salt (1:1), (S)-
S-Calcium levofolinate
L-Leucovorin Calcium
Calcium Levofol
【EINECS(EC#)】

【Molecular Formula】
C20H21CaN7O7 (Products with the same molecular formula)
【Molecular Weight】
511.5
【Inchi】
InChI=1/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12-,13+;/m0./s1
【Canonical SMILES】
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
【Isomers smiles】
C1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)
[O-])C(=O)[O-].[Ca+2]
【MOL File】
80433-71-2.mol

Chemical and Physical Properties

【Appearance】
White crystalline powder
【Melting Point】
240-250oC
【Computed Properties】
Molecular Weight:511.50144 [g/mol]
Molecular Formula:C20H21CaN7O7
H-Bond Donor:5
H-Bond Acceptor:9
Rotatable Bond Count:7
Tautomer Count:85
Exact Mass:511.112837
MonoIsotopic Mass:511.112837
Topological Polar Surface Area:221
Heavy Atom Count:35
Formal Charge:0
Complexity:900
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Specification】

 Calcium levofolinate , its cas register number 80433-71-2. It also can be called CL 307,782 ; Calcium N-(p-((((6S)-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamate (1:1) ; Elvorine ; Fusilev ; Isovorin ; L-Glutamic acid, N-(4-(((2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-, calcium salt (1:1), (S)- ; Levoleucovorin ; Levoleucovorin calcium ; and UNII-778XL6VBS8 . Its classification code are Antidote [to folic acid antagonists] and Vitamin B Complex.

Use and Manufacturing

【Usage】

 Calcium levofolinate (CAS NO.80433-71-2) is an intermediate product of the metabolism of Folic Acid; the active form into which that acid is converted in the body, ascorbic acid being a necessary factor in the conversion process.

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