Xemilofiban
[CAS# 149820-74-6]

Identification

• Name: Xemilofiban
• Synonyms: Ethyl (3S)-3-[[4-[(4-Carbamimidoylphenyl)Amino]-4-Oxo-Butanoyl]Amino]Pent-4-Ynoate; (3S)-3-[[4-[(4-Carbamimidoylphenyl)Amino]-1,4-Dioxobutyl]Amino]Pent-4-Ynoic Acid Ethyl Ester; (3S)-3-[[4-[(4-Amidinophenyl)Amino]-4-Keto-Butanoyl]Amino]Pent-4-Ynoic Acid Ethyl Ester
• Molecular Formula: C₁₈H₂₂N₄O₄
• Molecular Weight: 358.40
• CAS Registry Number: 149820-74-6
• SMILES: [C@H](NC(CCC(NC1=CC=C(C=C1)C(N)=N)=O)=O)(CC(OCC)=O)C#C
• InChI: 1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m1/s1
• InChIKey: ZHCINJQZDFCSEL-CYBMUJFWSA-N