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Technical details about Calcium Folinate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Calcium folinate, Calcium citrovorum factor, Folinic acid calcium salt, Folinic acid-sf, calcium salt, (+)-l-folinic acid, calcium salt, 1492-18-8
Molecular Formula
C20H23CaN7O7+2
Molecular Weight
513.5  g/mol
InChI Key
KVUAALJSMIVURS-ZEDZUCNESA-N

The active metabolite of FOLIC ACID. Leucovorin is used principally as an antidote to FOLIC ACID ANTAGONISTS.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
2.1.2 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);/q;+2/t12?,13-;/m0./s1
2.1.3 InChI Key
KVUAALJSMIVURS-ZEDZUCNESA-N
2.1.4 Canonical SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]
2.1.5 Isomeric 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+2]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 5 Formyltetrahydrofolate

2. 5 Formyltetrahydropteroylglutamate

3. 5-formyltetrahydrofolate

4. 5-formyltetrahydropteroylglutamate

5. Acid, Folinic

6. Calcium Folinate

7. Citrovorum Factor

8. Factor, Citrovorum

9. Folinate, Calcium

10. Folinic Acid

11. Folinic Acid Sf

12. Folinic Acid-sf

13. Leucovorin

14. Leucovorin, (d)-isomer

15. Leucovorin, (dl)-isomer

16. Leucovorin, (r)-isomer

17. Leucovorin, Calcium

18. Leucovorin, Calcium (1:1) Salt

19. Leucovorin, Calcium (1:1) Salt, (dl)-isomer

20. Leucovorin, Calcium (1:1) Salt, Pentahydrate

21. Leucovorin, Monosodium Salt

22. Leukovorin

23. Leukovorum

24. Monosodium Salt Leucovorin

25. N(5)-formyltetrahydrofolate

26. Wellcovorin

2.2.2 Depositor-Supplied Synonyms

1. Calcium Folinate

2. Calcium Citrovorum Factor

3. Folinic Acid Calcium Salt

4. Folinic Acid-sf, Calcium Salt

5. (+)-l-folinic Acid, Calcium Salt

6. 1492-18-8

7. Nsc3590

8. Sr-05000001662

9. Pharmakon1600-01500364

10. Nsc757083

11. Nsc-757083

12. Sr-05000001662-1

13. Sr-05000001662-2

14. Glutamic Acid,6,7,8-tetrahydro-4-hydroxy-6- Pteridinyl)methyl]amino]benzoyl]-, Calcium Salt (1:1), L-

15. L-glutamic Acid,4,5,6,7,8-hexahydro-4-oxo-6- Pteridinyl)methyl]amino]benzoyl]-, Calcium Salt (1:1), (s)-

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 513.5 g/mol
Molecular Formula C20H23CaN7O7+2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass513.1284869 g/mol
Monoisotopic Mass513.1284869 g/mol
Topological Polar Surface Area216 Ų
Heavy Atom Count35
Formal Charge2
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antidotes

Agents counteracting or neutralizing the action of POISONS. (See all compounds classified as Antidotes.)


Vitamin B Complex

A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)


4.2 ATC Code

V - Various

V03 - All other therapeutic products

V03A - All other therapeutic products

V03AF - Detoxifying agents for antineoplastic treatment

V03AF03 - Calcium folinate


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