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  • Leucovorin calcium pentahydrate
Name:Leucovorin calcium pentahydrate
CAS No:6035-45-6

PRODUCT DESCRIPTION

【Name】
Leucovorin calcium pentahydrate
【CAS Registry number】
6035-45-6
【Synonyms】
Glutamicacid,N-[p-[[(2-amino-5-formyl-5,6,7,8-tetrahydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-,calcium salt, pentahydrate, L- (8CI)
L-Glutamic acid,N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-,calcium salt (1:1), pentahydrate (9CI)
Folinic acid, calcium salt pentahydrate
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)
【EINECS(EC#)】
216-082-8
【Molecular Formula】
C20H31CaN7O12 (Products with the same molecular formula)
【Molecular Weight】
511.50
【Inchi】
InChI=1/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
【Canonical SMILES】
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
【Isomers smiles】
C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C
(=O)[O-].[Ca+2]
【MOL File】
6035-45-6.mol

Chemical and Physical Properties

【Appearance】
yellowish-white to yellow powder
【Melting Point】
240-250 °C
【Solubilities】
Soluble in water, almost insoluble in ethanol
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:511.50144 [g/mol]
Molecular Formula:C20H21CaN7O7
H-Bond Donor:5
H-Bond Acceptor:9
Rotatable Bond Count:7
Tautomer Count:85
Exact Mass:511.112837
MonoIsotopic Mass:511.112837
Topological Polar Surface Area:221
Heavy Atom Count:35
Formal Charge:0
Complexity:900
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
36/37/38-42/43
【Safety Statements 】
26-36
【Safety】
Hazard Codes:Xn
Risk Statements:36/37/38-42/43
36/37/38:Irritating to eyes, respiratory system and skin
42/43:May cause sensitization by inhalation and skin contact
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
WGK Germany:3
【Specification】

yellowish-white to yellow powder
usageEng:An intermediate product of the metabolism of Folic Acid. This compound is a mixture of diastereomers.
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

Use and Manufacturing

【Usage】
An intermediate product of the metabolism of Folic Acid. This compound is a mixture of diastereomers.

Biomedical Effects and Toxicity

【Pharmacological Action】
- A group of water-soluble vitamins, some of which are COENZYMES.
【Therapeutic Uses】
An intermediate product of the metabolism of Folic Acid. This compound is a mixture of diastereomers.

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