PCNU

NSC - 95466

SMILE String: O=C1NC(=O)[CH](CC1)NC(=O)N(N=O)CCCl

Chemical Name: N-(2-Chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitrosourea

CAS Registry Number: 13909-02-9

Molecular Formula: C8H11ClN4O4             M.W.: 262.7

Approximate Solubility:         (mg/mL)

Water                            < 1
Water pH 4                       < 1
Water pH 9                       2-3
10% EtOH                         < 1
95% EtOH                         2-3
McOH                             3-4
CHCl3                            1-3
Acetone                      12.5-15

Stability:

Bulk: A sample stored at 60° C for 10 days decomposed 18% (UV). The compound was found to be stable in bulk form at room temperature exposed to lab light through 60 days (UV, TLC and ionic chloride). For long -term storage the bulk compound should be protected from moisture and stored at -15° C.

Solution: The compound dissolved in 3% methanol/ water decomposed 4% in one hour, 6.5% in three hours 15% in six hours, and 38% in 24 hours (UV). There was no formation of ionic chloride during the 24 hours. Solutions should be prepared immediately before use.

High Performance Liquid Chromatography:

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

Mobile Phase: CH3CN/1% HOAc (aq.), 15/85, v/v

Flow Rate: 2 mL/min

Detection: UV at 254 nm

Sample Preparation: 0.45 mg/mL in internal standard solution.

Internal Standard: Acetonitrile containing 0.04 uL acetophenone per mL as the internal standard/1% HOAC (aq), 50/50, (v /v).

Retention Volume: 11.0 mL (NSC - 95466)
                  23.0 mL (I.S.)

Ultraviolet Absorption:

(3% Methanol /water)

max = 230 ± 2nm         E = 6,052 - 6,270

Toxicity Data:

Mouse(po): LD50 35700 lug/kg
National Technical Information Service

Mouse(iv): LD50 22 mg/kg
National Technical Information Service

Dog(iv): LDLo, 3 mg/kg
National Technical Information Service

Monkey(iv): LDLo 10 mg/kg
National Technical Information Service

, PB282 -250
, PB282 -250
PB282 -250
, PB282 -250