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S4026

Sigma-Aldrich

Semustine

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C10H18ClN3O2
CAS Number:
13909-09-6
Molecular Weight:
247.72
MDL number:
MFCD00133811
UNSPSC Code:
12352100
PubChem Substance ID:
24899584
NACRES:
NA.22

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

Related Categories

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

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Oral - Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Carc. 1B - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
091H0080

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