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Levoleucovorin disodium

CAT: 0013-GTR19202341-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202341-01Size:25 mg
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Description
Levoleucovorin disodium
CAS Number
163254-40-8
Field of Research
Cell Biology, Metabolism Research
Smiles
O=CN1C2=C (NC (N) =NC2=O) NCC1CNC3=CC=C (C=C3) C (N[C@H] (C (O) =O) CCC (O) =O) =O.[Na].[Na]
Molecular Formula
C20H21N7Na2O7
Molecular Weight
517.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium Folinate

Leucovorin Sodium is the sodium salt of leucovorin, an active metabolite of folic acid, used as an antidote to folic acid antagonists. Leucovorin does not require metabolism by dihydrofolate reductase, the molecular target of folate antagonists and counteracts the toxic effects of these drugs. This agent also potentiates the effects of fluorouracil and its derivatives by stabilizing the binding of the drug's metabolite to its target enzyme, thus prolonging drug activity. In comparison with the calcium salt, sodium salt does not form precipitate when mixed other folate antagonists.

CAS Number163254-40-8
PubChem CID136180065
IUPAC Namedisodium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
Molecular FormulaC20H21N7Na2O7
Molecular Weight517.4
Topological Polar Surface Area221
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity900
SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C20H23N7O7.2Na/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*+1/p-2/t12?,13-;;/m0../s1
InChIKey
FSDMNNPYPVJNAT-RIWFDJIXSA-L
Chemical Structure
2D Structure
2D structure of Sodium Folinate
CAS: 163254-40-8
CID: 136180065
Formula: C20H21N7Na2O7
MW: 517.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass517.12978460
Monoisotopic Mass517.12978460
Topological Polar Surface Area221 Ų
Heavy Atom Count36
Formal Charge0
Complexity900
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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