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4-Hydroperoxy Cyclophosphamide-[d4]

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4-Hydroperoxy Cyclophosphamide-[d4]

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General Information
Catalog: BLP-002896
CAS: 1246816-71-6
Molecular Formula: C7H11D4Cl2N2O4P
Molecular Weight: 297.11

Chemical Structure

Description	4-Hydroperoxy Cyclophosphamide-[d4] is the labelled analogue of 4-Hydroperoxy Cyclophosphamide. 4-Hydroperoxy Cyclophosphamide is the active metabolite of the nitrogen mustard cyclophosphamide with potent antineoplastic and immunosuppressive properties.
Synonyms	4-Hydroperoxy Cyclophosphamide D4; 2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl Hydroperoxide-d4; 4-Hydroperoxycyclofosfamide-d4; Asta 6496-d4
IUPAC Name	N,N-bis(2-chloro-2,2-dideuterioethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Related CAS	39800-16-3 (unlabelled)
Canonical SMILES	C1COP(=O)(NC1OO)N(CCCl)CCCl
InChI	InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/i2D2,3D2
InChI Key	VPAWVRUHMJVRHU-RRVWJQJTSA-N
Melting Point	100-103 °C
Purity	95%; ≥ 98% atom D
Solubility	Slightly soluble in Acetone, Chloroform
Appearance	White to Off-white Solid
Storage	Hygroscopic, -86 °C under inert atmosphere

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