Lefradafiban
[CAS# 149503-79-7]

Identification

• Name: Lefradafiban
• Synonyms: Methyl 2-[(3S,5S)-5-[[4-[4-(N'-Methoxycarbonylcarbamimidoyl)Phenyl]Phenoxy]Methyl]-2-Oxo-Pyrrolidin-3-Yl]Acetate; 2-[(3S,5S)-5-[[4-[4-[(Z)-Amino-Methoxycarbonyliminomethyl]Phenyl]Phenoxy]Methyl]-2-Oxo-3-Pyrrolidinyl]Acetic Acid Methyl Ester; 2-[(3S,5S)-5-[[4-[4-(N'-Carbomethoxycarbamimidoyl)Phenyl]Phenoxy]Methyl]-2-Keto-Pyrrolidin-3-Yl]Acetic Acid Methyl Ester
• Molecular Formula: C₂₃H₂₅N₃O₆
• Molecular Weight: 439.47
• CAS Registry Number: 149503-79-7
• SMILES: [C@@H]3(COC2=CC=C(C1=CC=C(C(=NC(OC)=O)N)C=C1)C=C2)C[C@@H](CC(OC)=O)C(N3)=O
• InChI: 1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1
• InChIKey: PGCFXITVMNNKON-ROUUACIJSA-N

Properties

• Density: 1.321g/cm³ (Cal.)