Fasidotril
[CAS# 135038-57-2]

Identification

• Name: Fasidotril
• Synonyms: Phenylmethyl (2S)-2-[[(2S)-2-Acetylsulfanyl-3-(1,3-Benzodioxol-5-Yl)-2-Methyl-Propanoyl]Amino]Propanoate; (2S)-2-[[(2S)-2-(Acetylthio)-3-(1,3-Benzodioxol-5-Yl)-2-Methyl-1-Oxopropyl]Amino]Propanoic Acid Phenylmethyl Ester; (2S)-2-[[(2S)-2-(Acetylthio)-3-(1,3-Benzodioxol-5-Yl)-2-Methyl-Propanoyl]Amino]Propionic Acid Benzyl Ester
• Molecular Formula: C₂₃H₂₅NO₆S
• Molecular Weight: 443.51
• CAS Registry Number: 135038-57-2
• SMILES: [C@H](C(=O)OCC1=CC=CC=C1)(NC([C@](CC2=CC=C3C(=C2)OCO3)(SC(=O)C)C)=O)C
• InChI: 1S/C23H25NO6S/c1-15(21(26)28-13-17-7-5-4-6-8-17)24-22(27)23(3,31-16(2)25)12-18-9-10-19-20(11-18)30-14-29-19/h4-11,15H,12-14H2,1-3H3,(H,24,27)/t15-,23-/m0/s1
• InChIKey: HJUXZNGHXWIRNF-WNSKOXEYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 609.026°C at 760 mmHg (Cal.)
• Flash point: 322.128°C (Cal.)