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2'-Oxo Ifosfamide-[d4]

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General Information
Catalog: BLP-002620
CAS: 1329497-14-4
Molecular Formula: C7H9D4Cl2N2O3P
Molecular Weight: 279.09

Chemical Structure

Description	2'-Oxo Ifosfamide-[d4] is the labelled analogue of 2'-Oxo Ifosfamide, which is an intermediate of Ifosfamide.
Synonyms	2'-Oxo Ifosfamide D4; 2-Chloro-1-[2-[(2-chloroethyl)amino]dihydro-2-oxido-2H-1,3,2-oxazaphosphorin-3(4H)-yl]ethanone-d4; 3-(Chloroacetyl)-N-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-d4 2-Oxide
IUPAC Name	2-chloro-1-[2-(2-chloroethylamino)-4,4,5,5-tetradeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl]ethanone
Related CAS	119670-13-2 (unlabelled)
Canonical SMILES	C1CN(P(=O)(OC1)NCCCl)C(=O)CCl
InChI	InChI=1S/C7H13Cl2N2O3P/c8-2-3-10-15(13)11(7(12)6-9)4-1-5-14-15/h1-6H2,(H,10,13)/i1D2,4D2
InChI Key	KJRISYCCYWZCOF-RUKOHJPDSA-N
Purity	> 98% by HPLC; > 96% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	-20 °C under inert atmosphere