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Calcium folinate-[13C5]

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General Information
Catalog: BLP-000127
Molecular Formula: C15[13C]5H23CaN7O8
Molecular Weight: 534.5

Chemical Structure

Synonyms	Calcium folinate-(glutamyl-13C5)
IUPAC Name	calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino](1,2,3,4,5-13C5)pentanedioate;hydrate
Related CAS	9004-34-6 (unlabelled anhydrous)
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-].O.[Ca+2]
InChI	InChI=1S/C20H23N7O7.Ca.H2O/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);;1H2/q;+2;/p-2/t12?,13-;;/m0../s1/i5+1,6+1,13+1,14+1,19+1;;
InChI Key	ANIWFDFELBSPJN-CYSZZJFWSA-L
Purity	97% (CP); 99% atom 13C
Appearance	Solid