Cevipabulin fumarate

Base Information

• Chemical Name: Cevipabulin fumarate
• CAS No.: 849550-69-2
• Molecular Formula: C18H18ClF5N6O.C4H4O4.2H2O
• Molecular Weight: 616.92300
• UNII: Q380BYV049
• ChEMBL ID: CHEMBL2107322
• DSSTox Substance ID: DTXSID60582094
• NCI Thesaurus Code: C73815
• Wikidata: Q27286950
• Mol file: 849550-69-2.mol

Synonyms:5-chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-(1,1,1-trifluoropropan-2-yl)-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine;cevipabulin;CNDR-51533;CNDR-51657;TTI-237

Chemical Property of Cevipabulin fumarate

Chemical Property:

• PSA: 169.43000
• LogP: 4.12100
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 10
• Exact Mass: 616.1471657
• Heavy Atom Count: 41
• Complexity: 685

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(=CC(=O)O)C(=O)O.O.O
• Isomeric SMILES: C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(=C/C(=O)O)\C(=O)O.O.O
• Recent ClinicalTrials: Study Evaluating TTI-237 in Advanced Malignant Solid Tumors