S4026

Semustine

• Synonym(s): N-(2-Chloroethyl)-N′-(4-methylcyclohexyl)-N-nitrosourea, Methyl-CCNU
• Empirical Formula (Hill Notation): C₁₀H₁₈ClN₃O₂
• CAS Number: 13909-09-6
• Molecular Weight: 247.72
• NACRES: NA.22
• PubChem Substance ID: 24899584
• UNSPSC Code: 12352100
• MDL number: MFCD00133811

Properties

• functional group: N-nitroso, amine, nitroso
• 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

Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Codes: H300,H311 + H331,H315,H319,H335,H350,H360
• Precautionary Statements: P202 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• 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: 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
• PPE (personal protective equipment): Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges