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Fosphenytoin-2,4,5-[13C3,15N2] disodium salt heptahydrate

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General Information
Catalog: BLP-000615
Molecular Formula: C13[13C]3H27[15N]2Na2O13P
Molecular Weight: 537.31

Chemical Structure

Description	Fosphenytoin-2,4,5-[13C3,15N2] disodium salt heptahydrate is the labelled analogue of Fosphenytoin disodium salt heptahydrate. Fosphenytoin is a water-soluble phenytoin prodrug that is rapidly converted to phenytoin. It is most commonly used in the acute treatment of convulsive status epilepticus.
Synonyms	Fosphenytoin-2,4,5-13C3,15N2 disodium salt heptahydrate
IUPAC Name	disodium;(2,5-dioxo-4,4-diphenyl-(2,4,5-13C3,1,3-15N2)1,3-diazolidin-1-yl)methyl phosphate;heptahydrate
Related CAS	92134-98-0 (unlabelled hydrate) 93390-81-9 (unlabelled free base)
Canonical SMILES	C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.O.O.O.O.O.O.O.[Na+].[Na+]
InChI	InChI=1S/C16H15N2O6P.2Na.7H2O/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;;;;;;;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;;71H2/q;2+1;;;;;;;/p-2/i14+1,15+1,16+1,17+1,18+1;;;;;;;;;
InChI Key	KFGQDIBFHJVFDV-WSWAXWECSA-L
Purity	98% atom 15N; 99% atom 13C