Samixogrel
[CAS# 133276-80-9]

Identification

• Name: Samixogrel
• Synonyms: (E)-6-[4-[2-[(4-Chlorophenyl)Sulfonylamino]Ethyl]Phenyl]-6-(3-Pyridyl)Hex-5-Enoic Acid; (E)-6-[4-[2-[(4-Chlorophenyl)Sulfonylamino]Ethyl]Phenyl]-6-Pyridin-3-Yl-Hex-5-Enoic Acid; (E)-6-(P-(2-(P-Chlorobenzenesulfonamido)Ethyl)Phenyl)-6-(3-Pyridyl)-5-Hexenoic Acid
• Molecular Formula: C₂₅H₂₅ClN₂O₄S
• Molecular Weight: 485.00
• CAS Registry Number: 133276-80-9
• SMILES: C2=C(\C(C1=CC=CN=C1)=C/CCCC(O)=O)C=CC(=C2)CCN[S](C3=CC=C(C=C3)Cl)(=O)=O
• InChI: 1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+
• InChIKey: LGHLGTHRJNIRCA-ZXKDJJQISA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 704.911°C at 760 mmHg (Cal.)
• Flash point: 380.117°C (Cal.)