Sermetacin
[CAS# 57645-05-3]

Identification

• Name: Sermetacin
• Synonyms: (2S)-2-[[2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-Indol-3-Yl]Acetyl]Amino]-3-Hydroxy-Propanoic Acid; (2S)-2-[[2-[1-[(4-Chlorophenyl)-Oxomethyl]-5-Methoxy-2-Methyl-3-Indolyl]-1-Oxoethyl]Amino]-3-Hydroxypropanoic Acid; (2S)-2-[[2-[1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-Indol-3-Yl]Acetyl]Amino]-3-Hydroxy-Propionic Acid
• Molecular Formula: C₂₂H₂₁ClN₂O₆
• Molecular Weight: 444.87
• CAS Registry Number: 57645-05-3
• EINECS: 260-873-0
• SMILES: [C@@H](NC(CC1=C([N](C2=C1C=C(OC)C=C2)C(C3=CC=C(C=C3)Cl)=O)C)=O)(C(O)=O)CO
• InChI: 1S/C22H21ClN2O6/c1-12-16(10-20(27)24-18(11-26)22(29)30)17-9-15(31-2)7-8-19(17)25(12)21(28)13-3-5-14(23)6-4-13/h3-9,18,26H,10-11H2,1-2H3,(H,24,27)(H,29,30)/t18-/m0/s1
• InChIKey: AUDFHJLSHQWFQQ-SFHVURJKSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 688.635°C at 760 mmHg (Cal.)
• Flash point: 370.274°C (Cal.)