Repotrectinib
[CAS# 1802220-02-5]

Identification

• Name: Repotrectinib
• Synonyms: TPX-0005; TPX 0005; TPX0005
• Molecular Formula: C₁₈H₁₈FN₅O₂
• Molecular Weight: 355.37
• CAS Registry Number: 1802220-02-5
• SMILES: CC1CNC(=O)C2=CNN3C2=NC(=NC(C4=C(O1)C=CC(=C4)F)C)C=C3
• InChI: 1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11,21H,8H2,1-2H3,(H,20,25)/t10-,11+/m0/s1
• InChIKey: RZNJKDGJGCKKNC-WDEREUQCSA-N

Properties

• Density: 1.46±0.1g/cm³ (Expl.)
• solubility: DMSO: ≥ 83.3 mg/mL