Folinic acid calcium salt pentahydrate

Basic Information

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CAS Number

6035-45-6

Molecular Formula

C40H44CaN14O14

Molecular Weight

601.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>300°C

Specific Rotation

+14.9° (c=1,in H2O)

SMILES

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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-].O.O.O.O.O.[Ca+2]

InChI

InChI=1S/2C20H23N7O7.Ca/c2*1-26(13-8-22-16-15(27(13)9-28)18(32)25-20(21)24-16)11-4-2-10(3-5-11)17(31)23-12(19(33)34)6-7-14(29)30;/h2*2-5,9,12-13H,6-8H2,1H3,(H,23,31)(H,29,30)(H,33,34)(H4,21,22,24,25,32);/q;;+2/p-2/t12-,13?;;/m0../s1

InChIKey

BMJYRCFXYRPCPK-IYPRWPFWSA-L

LogP

-0.54600

Complexity

900

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID3036999
calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate
Tox21_110760
Q27287765
s1236
Folinic acid (calcium salt pentahydrate)
NCGC00017055-01
UNII-R3W57OBQ5W
Glutamic acid, N-(p-(((2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl)amino)benzoyl)-, calcium salt, pentahydrate, L-
DTXCID1016999
Leucovorin calcium pentahydrate
HY-B0080
Calcium (2S)-2-(4-(((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioate
Calcium (2S)-2-(4-(((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl)amino)benzamido)pentanedioate pentahydrate
Leucovorin calcium salt pentahydrate
CAS-6035-45-6
CHEMBL3184463
CCG-270199
L-GLUTAMIC ACID, N-(4-(((2-AMINO-5-FORMYL-3,4,5,6,7,8-HEXAHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-, CALCIUM SALT, HYDRATE (1:1:5)
CS-1777
CALCIUM FOLINATE PENTAHYDRATE [WHO-DD]
Leucovorin calcium hydrate
FOLINIC ACID, CALCIUM SALT PENTAHYDRATE
Folinic acid calcium salt pentahydrate
6035-45-6
R3W57OBQ5W
CALCIUM FOLINATE [WHO-IP]
FOLINIC ACID CALCIUM SALT PENTAHYDRATE [MI]
Calcium folinatc
CALCIUM N-(P-(((2-AMINO-5-FORMYL-5,6,7,8-TETRAHYDRO-4-HYDROXY-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-GLUTAMATE (1:1) PENTAHYDRATE [WHO-IP]
calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate

MDL Number

MFCD00149465

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Folinic acid calcium salt pentahydrate (CAS: 6035-45-6)?

Folinic acid calcium salt pentahydrate is a white crystalline powder with a molecular weight of approximately 641.55 g/mol. It is sparingly soluble in water and has limited solubility in organic solvents. Chemically, it is a salt with good stability under neutral and slightly acidic conditions but can react with strong acids or bases. It is often used in pharmaceutical applications due to its stability and solubility characteristics.

How is Folinic acid calcium salt pentahydrate (CAS: 6035-45-6) typically synthesized?

Folinic acid calcium salt pentahydrate is typically synthesized by reacting 5-formyltetrahydrofolate with calcium chloride in an aqueous solution. This process involves careful control of pH and temperature to ensure high yield and selectivity. The reaction is usually carried out in a solution that is gradually cooled to precipitate the desired salt form.

What industries use Folinic acid calcium salt pentahydrate (CAS: 6035-45-6)?

Folinic acid calcium salt pentahydrate is primarily used in the pharmaceutical industry for the treatment of folate deficiency and certain types of anemia. It is also used in the food industry as a food fortifier and in the agricultural sector as a nutrient additive for livestock. Additionally, it has applications in research and diagnostics where its properties are utilized.

What precautions should be taken when handling Folinic acid calcium salt pentahydrate (CAS: 6035-45-6)?

When handling Folinic acid calcium salt pentahydrate, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a dry, well-ventilated area away from strong acids and bases. In case of spills, use appropriate absorbents and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.