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N-Denitroso-N'-nitroso Lomustine-[d4]

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General Information
Catalog: BLP-004940
CAS: 1346603-97-1
Molecular Formula: C9H12D4ClN3O2
Molecular Weight: 237.72

Chemical Structure

Description	N-Denitroso-N'-nitroso Lomustine-[d4] is the labelled analogue of N-Denitroso-N'-nitroso Lomustine, which is an isomeric impurity of Lomustine with antitumor activity.
Synonyms	N-Denitroso-N'-nitroso Lomustine D4; N'-(2-Chloroethyl-d4)-N-cyclohexyl-N-nitrosourea
IUPAC Name	3-(2-chloro-1,1,2,2-tetradeuterioethyl)-1-cyclohexyl-1-nitrosourea
Related CAS	54749-91-6 (unlabelled)
Canonical SMILES	C1CCC(CC1)N(C(=O)NCCCl)N=O
InChI	InChI=1S/C9H16ClN3O2/c10-6-7-11-9(14)13(12-15)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)/i6D2,7D2
InChI Key	IGMMTYZWNUSEEU-KXGHAPEVSA-N