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Weight247.726 g/mol
FormulaC10H18ClN3O2
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings0
Rotatable Bonds4

semustine

33073-59-5, 33185-87-4, 13909-09-6
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Most-cited Publications

Safety

  • H341: Suspected of causing genetic defects
    Warning Germ cell mutagenicity - Category 2
  • H360: May damage fertility or the unborn child
    Danger Reproductive toxicity - Category 1A, 1B
  • H371: May cause damage to organs
    Warning Specific target organ toxicity, single exposure - Category 2
  • H373: Causes damage to organs through prolonged or repeated exposure
    Warning Specific target organ toxicity, repeated exposure - Category 2

Alternate Names

  • SMILES
    CC1CCC(CC1)NC(=O)N(CCCl)N=O
  • InChIKey
    FVLVBPDQNARYJU-UHFFFAOYSA-N

External Links

Synthesis

1-(2-Chloroethyl)-1-nitrosourea  +  1-Chloro-4-methylcyclohexane (Alkylation of primary amines)
Reactant  +  4-Methylcyclohexylamine (Schotten-Baumann amide from acid)
Synthesis of semustine ›

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