Azetirelin
[CAS# 95729-65-0]

Identification

• Name: Azetirelin
• Synonyms: (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-[(2S)-4-Oxo-2-Azetidinyl]Methyl]Amino]Propyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-4-Ketoazetidine-2-Carbonyl]Amino]Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-3-(3H-Imida
• Molecular Formula: C₁₅H₂₀N₆O₄
• Molecular Weight: 348.36
• CAS Registry Number: 95729-65-0
• SMILES: [C@@H]3(N(C([C@H](CC1=CN=C[NH]1)NC([C@@H]2CC(=O)N2)=O)=O)CCC3)C(N)=O
• InChI: 1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1
• InChIKey: WBGUMUGCONUXFK-DCAQKATOSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 997.131°C at 760 mmHg (Cal.)
• Flash point: 556.845°C (Cal.)