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Trofosfamide-[d4]

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General Information
Catalog: BLP-007545
CAS: 1189884-36-3
Molecular Formula: C9H14D4Cl3N2O2P
Molecular Weight: 327.61

Chemical Structure

Description	Labelled Trofosfamide. Trofosfamide is an orally bioavailable oxazaphosphorine prodrug with antineoplastic activity. Trofosfamide (TFF) is metabolized predominantly to the cyclophosphamide analogue ifosfamide (IFO), which is then metabolized by liver cytochrome P450s to the active isophosphoramide mustard (IPM). IPM alkylates DNA to form DNA-DNA cross-links, which may result in inhibition of DNA, RNA and protein synthesis, and tumor cell apoptosis.
Synonyms	N,N,3-Tris(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-d4 2-Oxide; Ixoten-d4; NSC 109723-d4; Trifosfamide-d4; Trilofosfamida-d4; Trilophosphamide-d4; Triphosphamide-d4; Trisfosfamide-d4
IUPAC Name	N,N,3-tris(2-chloroethyl)-4,4,5,5-tetradeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
Related CAS	22089-22-1 (unlabelled)
Isomeric SMILES	[2H]C1(COP(=O)(N(C1([2H])[2H])CCCl)N(CCCl)CCCl)[2H]
Canonical SMILES	C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl
InChI	InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2/i1D2,5D2
InChI Key	UMKFEPPTGMDVMI-QEOHIWEKSA-N
Boiling Point	393.7±52.0°C at 760 mmHg
Melting Point	52-53°C
Density	1.4±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White Solid
Storage	Store at -20°C, Under Inert Atmosphere