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N-Dechloroethyl Cyclophosphamide-[d4]

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General Information
Catalog: BLP-004933
CAS: 1346600-68-7
Molecular Formula: C5H8D4ClN2O2P
Molecular Weight: 202.61

Chemical Structure

Description	N-Dechloroethyl Cyclophosphamide-[d4] is the labelled analogue of N-Dechloroethyl Cyclophosphamide, which is a metabolite of Cyclophosphamide.
Synonyms	N-Dechloroethyl Cyclophosphamide D4; N-(2-Chloroethyl-d4)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-Oxide; 2-(2-Chloroethylamino-d4)tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; 3-Dechloroethylifosfamide-d4; Asta 4968-d4; Dechloroethylcyclophosphamide-d4; Monochloroethylcyclophosphamide-d4
IUPAC Name	2-((2-chloroethyl-1,1,2,2-d4)amino)-1,3,2-oxazaphosphinane 2-oxide
Related CAS	36761-83-8 (unlabelled)
Canonical SMILES	C1CNP(=O)(OC1)NCCCl
InChI	InChI=1S/C5H12ClN2O2P/c6-2-4-8-11(9)7-3-1-5-10-11/h1-5H2,(H2,7,8,9)/i2D2,4D2
InChI Key	DZKGMGPLDJOVCX-BYUTVXSXSA-N
Melting Point	107-108°C
Purity	97%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere