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Folinic acid calcium

CAT: 0127-BUP17377-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17377-01Size:100 mg
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CAS Number
1492-18-8
Synonyms
Wellcovorin, Calcium folinate, Leucovorin Calcium, Folinic acid calcium salt
Purity
=98%
Smiles
[Ca++].Nc1nc(=O)c2N(C=O)C(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNc2[nH]1

Chemical Information

Calcium Folinate

The active metabolite of Folic acid, Pteroyl-D-glutamic acid is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. Folic acid, a water-soluble B-complex vitamin, is found in foods such as liver, kidneys, yeast, and leafy, green vegetables. Folic acid is used to diagnose folate deficiency and to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid. A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia.

CAS Number1492-18-8
PubChem CID135430945
Molecular FormulaC20H23CaN7O7
Molecular Weight513.5
Topological Polar Surface Area216
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity911
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.[Ca]
InChI
InChI=1S/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);/t12?,13-;/m0./s1
InChIKey
BZPWXVJDMRBCMD-ZEDZUCNESA-N
Chemical Structure
2D Structure
2D structure of Calcium Folinate
CAS: 1492-18-8
CID: 135430945
Formula: C20H23CaN7O7
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight513.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass513.1284869
Monoisotopic Mass513.1284869
Topological Polar Surface Area216 Ų
Heavy Atom Count35
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes