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| CAS No.: | 80433-71-2 |
|---|---|
| Name: | Calcium levofolinate |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C20H21CaN7O7 |
| Molecular Weight: | 511.507 |
| Synonyms: | CL 307,782;Isovorin;Levoleucovorin calcium [USAN];Calcium N-(p-((((6S)-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamate (1:1);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), (S)-;S-Calcium levofolinate;L-Leucovorin Calcium;Calcium Levofol; |
| EINECS: | 801-530-2 |
| Melting Point: | 240-250 °C (dec) |
| Appearance: | off-white to light beige amorphous powder |
| PSA: | 225.50000 |
| LogP: | -1.51650 |
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Specification
1. Introduction of Calcium levofolinate
Calcium levofolinate is one kind of off-white to light beige amorphous powder or white solid powder. The IUPAC Name of it is Calcium(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate. It belongs to Intermediates & Fine Chemicals;Pharmaceuticals. The Classification Code of it is Antidote [to folic acid antagonists]; Antidotes; Protective Agents.
2. Properties of Calcium levofolinate
Physical properties about Calcium levofolinate are:
(1)H-Bond Donor: 5; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 7; (4)Tautomer Count: 85; (5)Exact Mass: 511.112837; (6)MonoIsotopic Mass: 511.112837; (7)Topological Polar Surface Area: 221; (8)Heavy Atom Count: 35; (9)Formal Charge: 0; (10)Complexity: 900; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 2; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 2; (17)Melting point: 240-2500 °C.
3. Structure Descriptors of Calcium levofolinate
(1)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]
(2)Isomeric SMILES: C1[C@@H](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]
(3)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/p-2/t12-,13-;/m0./s1
(4)InChIKey: KVUAALJSMIVURS-QNTKWALQSA-L
4. Uses of Calcium levofolinate
Calcium levofolinate (CAS NO.80433-71-2) is an intermediate product of the metabolism of Folic Acid; the active form into which that acid is converted in the body, ascorbic acid being a necessary factor in the conversion process. It is an intermediate product of the metabolism of Folic Acid; the active form into which that acid is converted in the body, ascorbic acid being a necessary factor in the conversion process.