SEMUSTINE

NSC - 95441

SMILE String: ClCCN(C(N[CH]1CC[CH](CC1)C)=O)N=O

Chemical Name: 1-(2-Chloroethyl)-3-(4-methyl cyclohexyl)-1-n itrosourea

Other Name: Methyl CCNU

Molecular Formula: C10H18ClN3O2            M.W. : 247.7

Approximate Solubility:            (mg/mL)
Water                               0.09
0.1 N HCI                           0.09
0.1 N NaOH                          0.09
10% Ethanol                         0.10
Absolute Ethanol                  100.00
DMSO                              250.00
Chloroform                        667.00

Stabilty:

Bulk: A sample stored at room temperature for 30 days showed 4% decomposition (UV).

Solution: A refrigerated solution in 10% EtOH decomposed 2% in 6 hours while a solution at room temperature showed 25% decomposition in 6 hours (UV). Solutions in methanol were also found to be unstable by UV analysis.

Ultraviolet Absorption:

(MeOH)

max =229 ± 2nm         E = 6,000 - 6,190

High Performance Liquid Chromatography:

Column: uBondpak C18 300 x 3.9 mm i.d.

Moble Phase: CH3CN/1% HOAc (aq), 70/30, v/v

Flow Rate: 1.0 mL/min

Detection: UV at 254 nm

Sample Preparation: Weighed amounts of the test sample (approximately 20 mg) in 10 mL flasks are dissolved in internal standard solution. These solutions are diluted 3 to 25 mL to give a concentration of 0.25 mg/mL.

Internal Standard: Fluoranthrene (0.08 mg /mL in acetonitrile)

Retention Volume: 5.5 mL (NSC- 95441)
                  9.0 mL (LS.)