Semustine - CAS 13909-09-6

Catalog:	BB008885
Product Name:	Semustine
CAS:	13909-09-6
Synonyms:	N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea; 1-(2-Chloroethyl)-3-(4-methylcyclohexyl)nitrosourea; Me-CCNU; Methyl Lomustine; Methyl-CCNU; N'-(4-Methylcyclohexyl)-N-(2-chloroethyl)-N-nitrosourea
Application:	Semustine is an alkylating agent and interstrand DNA cross linker. Anti-cancer chemotherapeutic agents, which are used in the treatment of different types of cancer such as brain tumors, resistant Hodgkin's disease, lung cancer and malignant melanoma.

Semustine

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Computed Properties

IUPAC Name:	1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea
Description:	Semustine is a chemotherapy drug similar to lomustine. Semustine alkylates and cross-links DNA thus exhibits cytotoxicity.
Molecular Weight:	247.72
Molecular Formula:	C10H18ClN3O2
Canonical SMILES:	CC1CCC(CC1)NC(=O)N(CCCl)N=O
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)
InChI Key:	FVLVBPDQNARYJU-UHFFFAOYSA-N
Melting Point:	147 °F
Purity:	≥95%
Density:	1.31 g/cm³
Solubility:	Soluble in DMSO
Appearance:	Solid
Storage:	Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Decomposition:	When heated to decomposition, It emits very toxic fumes of /chlorine/ and /nitrogen oxides
MDL:	MFCD00133811
LogP:	2.88780
Stability:	It is stable under normal conditions but should be protected from moisture
Vapor Pressure:	5.61X10-6 mm Hg at 25 °C (est)

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