Semustine

For research use only. Not for therapeutic Use.

  • CAT Number: M062628
  • CAS Number: 13909-09-6
  • Molecular Formula: C10H18ClN3O2
  • Molecular Weight: 247.72
  • Purity: ≥95%
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Semustine is a DNA alkylator, binds to DNA, and acts as a cancer chemotherapeutic agent[1].


Catalog Number M062628
CAS Number 13909-09-6
Synonyms

1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea

Molecular Formula C10H18ClN3O2
Purity ≥95%
InChI 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)
InChIKey FVLVBPDQNARYJU-UHFFFAOYSA-N
SMILES CC1CCC(CC1)NC(=O)N(CCCl)N=O
Reference

[1]. Agarwal S, et al. Molecular modeling and spectroscopic studies of semustine binding with DNA and its comparison with lomustine-DNA adduct formation. J Biomol Struct Dyn. 2015;33(8):1653-68.
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