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Thiotepa-[U-13C6]

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General Information
Catalog: BLP-001493
Molecular Formula: [13C]6H12N3PS
Molecular Weight: 195.17

Chemical Structure

Description	Thiotepa-[U-13C6] is a labelled analogue of Thiotepa. Thiotepa is an alkylating agent used to treat cancer, which features tetrahedral phosphorus and is structurally akin to phosphate. Thiotepa has been previously used in the palliation of a wide variety of neoplastic diseases.
Synonyms	[U-13C6]-1,1',1''-Phosphinothioylidynetris-aziridine; [U-13C6]-Thiofozil; [U-13C6]-Tiofosyl
IUPAC Name	tris((2,3-13C2)aziridin-1-yl)-sulfanylidene-λ5-phosphane
Related CAS	52-24-4 (unlabelled)
Canonical SMILES	C1CN1P(=S)(N2CC2)N3CC3
InChI	InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	FOCVUCIESVLUNU-IDEBNGHGSA-N
Purity	98%; 99% atom 13C
Appearance	White solid