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S4026 Sigma-Aldrich

Semustine

Synonym: N-(2-Chloroethyl)-N′-(4-methylcyclohexyl)-N-nitrosourea, Methyl-CCNU

  • CAS Number 13909-09-6

  • Empirical Formula (Hill Notation) C10H18ClN3O2

  • Molecular Weight 247.72

  •  MDL number MFCD00133811

  •  PubChem Substance ID 24899584

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Nitrogen Compounds - Organic Building Blocks, Nitroso Compounds, Organic Building Blocks More...
Quality Level   200
SMILES string   CC1CCC(CC1)NC(=O)N(CCCl)N=O
InChI   1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)
InChI key   FVLVBPDQNARYJU-UHFFFAOYSA-N

Description

Application

Commonly used in pharmacological studies involving:
• Nutrient-sensitized screening for drugs that shift the energy metabolism from mitchondrial respiration to glycolysis
• CEOP regimen with semustine used as induction chemotherapy in patients with lymphoma
• Investigations into its use for chemotherapy

Packaging

100 mg in poly bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. S4026.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Respiratory system
RIDADR 
UN 2811 6.1 / PGII
WGK Germany 
WGK 3
RTECS 
YS5000000
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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