Carsatrin
[CAS# 125363-87-3]

Identification

• Name: Carsatrin
• Synonyms: (2S)-1-[4-[Bis(4-Fluorophenyl)Methyl]-1-Piperazinyl]-3-(7H-Purin-6-Ylthio)Propan-2-Ol; (2S)-1-[4-[Bis(4-Fluorophenyl)Methyl]Piperazin-1-Yl]-3-(7H-Purin-6-Ylthio)Propan-2-Ol; 1-Piperazineethanol, 4-(Bis(4-Fluorophenyl)Methyl)-Alpha-((1H-Purin-6-Ylthio)Methyl)-
• Molecular Formula: C₂₅H₂₆F₂N₆OS
• Molecular Weight: 496.58
• CAS Registry Number: 125363-87-3
• SMILES: [C@H](O)(CN1CCN(CC1)C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CSC4=NC=NC5=C4[NH]C=N5
• InChI: 1S/C25H26F2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)/t21-/m0/s1
• InChIKey: JOMBZLFCXNSKEQ-NRFANRHFSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 713.532°C at 760 mmHg (Cal.)
• Flash point: 385.33°C (Cal.)