Infusamine
[CAS# 96697-28-8]

Identification

• Name: Infusamine
• Synonyms: 1-(2-Chloroethyl)-3-[(2S,3S,5R)-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[(2S,3S,5R)-5-(5-Fluoro-2,4-Dioxo-1-Pyrimidinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]-1-Nitrosourea; 1-(2-Chlo
• Molecular Formula: C₁₂H₁₅ClFN₅O₆
• Molecular Weight: 379.73
• CAS Registry Number: 96697-28-8 (96699-71-7)
• SMILES: [C@@H]2(N1C=C(C(NC1=O)=O)F)O[C@@H]([C@H](C2)NC(N(N=O)CCCl)=O)CO
• InChI: 1S/C12H15ClFN5O6/c13-1-2-19(17-24)12(23)15-7-3-9(25-8(7)5-20)18-4-6(14)10(21)16-11(18)22/h4,7-9,20H,1-3,5H2,(H,15,23)(H,16,21,22)/t7-,8+,9+/m0/s1
• InChIKey: AQMNBSBCJPFTAD-DJLDLDEBSA-N

Properties

• Density: 1.812g/cm³ (Cal.)