Fradafiban
[CAS# 148396-36-5]

Identification

• Name: Fradafiban
• Synonyms: 2-[(3S,5S)-5-[[4-(4-Carbamimidoylphenyl)Phenoxy]Methyl]-2-Oxo-Pyrrolidin-3-Yl]Acetic Acid; 2-[(3S,5S)-5-[[4-(4-Carbamimidoylphenyl)Phenoxy]Methyl]-2-Oxo-3-Pyrrolidinyl]Acetic Acid; 2-[(3S,5S)-5-[[4-(4-Amidinophenyl)Phenoxy]Methyl]-2-Keto-Pyrrolidin-3-Yl]Acetic Acid
• Molecular Formula: C₂₀H₂₁N₃O₄
• Molecular Weight: 367.40
• CAS Registry Number: 148396-36-5
• SMILES: [C@@H]1(C(=O)N[C@@H](C1)COC3=CC=C(C2=CC=C(C=C2)C(=N)N)C=C3)CC(=O)O
• InChI: 1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1
• InChIKey: IKZACQMAVUIGPY-HOTGVXAUSA-N

Properties

• Density: 1.384g/cm³ (Cal.)