1-(2-Chloroethyl)-3-[2-Hydroxy-3-(2-Nitroimidazol-1-Yl)Propyl]-1-Nitrosourea
[CAS# 113739-44-9]

Identification

• Name: 1-(2-Chloroethyl)-3-[2-Hydroxy-3-(2-Nitroimidazol-1-Yl)Propyl]-1-Nitrosourea
• Synonyms: 1-(2-Chloroethyl)-3-[2-Hydroxy-3-(2-Nitroimidazol-1-Yl)Propyl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[2-Hydroxy-3-(2-Nitro-1-Imidazolyl)Propyl]-1-Nitrosourea; I-278
• Molecular Formula: C₉H₁₃ClN₆O₅
• Molecular Weight: 320.69
• CAS Registry Number: 113739-44-9
• SMILES: C1=CN=C([N]1CC(O)CNC(=O)N(N=O)CCCl)[N+]([O-])=O
• InChI: 1S/C9H13ClN6O5/c10-1-3-15(13-19)9(18)12-5-7(17)6-14-4-2-11-8(14)16(20)21/h2,4,7,17H,1,3,5-6H2,(H,12,18)
• InChIKey: ZTORIAQXOHCLRD-UHFFFAOYSA-N

Properties

• Density: 1.676g/cm³ (Cal.)