Basic Description

Synonyms	CALCII FOLINAS [WHO-IP LATIN] \| 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, (+)-, (Z)-2-butenedioate (1:1) \| Calcium folinatc \| CS-1777 \| Folinic acid calcium salt pentahydrate \| Calcium (2S)-2-(4-(((2-amino-5-formyl-4-oxo-1,4,
Specifications & Purity	10mM in Water
Biochemical and Physiological Mechanisms	Vitamer of folic acid. Supplies cells with tetrahydrofolate. Reduces methotrexate toxicity without abolishing the antitumor effect in vivo. Orally active.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： An intermediate product of the metabolism of Folic Acid. This compound is a mixture of diastereomers.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pteridines and derivatives
    - Subclass Pterins and derivatives
      - Level5 Tetrahydropteroic acids and derivatives
        Level6 Tetrahydrofolic acids and derivatives
        Level7 Tetrahydrofolic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pteridines and derivatives
Subclass	Pterins and derivatives
Intermediate Tree Nodes	Tetrahydropteroic acids and derivatives - Tetrahydrofolic acids and derivatives
Direct Parent	Tetrahydrofolic acids
Alternative Parents	Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid salts Amino acids Organic calcium salts Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tetrahydrofolic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate
INCHI	InChI=1S/C20H23N7O7.Ca.5H2O/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);;5*1H2/q;+2;;;;;/p-2/t12?,13-;;;;;;/m0....../s1
InChIKey	NPPBLUASYYNAIG-ZIGBGYJWSA-L
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-].O.O.O.O.O.[Ca+2]
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-].O.O.O.O.O.[Ca+2]
Molecular Weight	601.59
Reaxy-Rn	14725516
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14725516&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	601.600 g/mol
XLogP3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	601.166 Da
Monoisotopic Mass	601.166 Da
Topological Polar Surface Area	226.000 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	900.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	7

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Nan Jiang, Xuanwei Ding, Yuan Lu. (2021) Development of a robust Escherichia coli-based cell-free protein synthesis application platform. BIOCHEMICAL ENGINEERING JOURNAL, 165 (107830).
2. Lekang Liu, Mingbo Shao, Luoyuan Guo, Wenjun Wang, Xiuwen Zheng, Xiaolei Jiang. (2025) Cu-Doped MnO2 Nanoparticles Loaded with Docetaxel Synergistically Enhance Chemodynamic Therapy through Ferroptosis and Cuproptosis. ACS Applied Nano Materials,
3. Jian Wang, Xiuzhi Xu, Zhulai Li, Bin Qiu. (2024) Simple and sensitive electrochemical sensing of amethopterin by using carbon nanobowl/cyclodextrin electrode. Heliyon, 10

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

Folinic acid - 10mM in Water, high purity , CAS No.6035-45-6