Trioxifene mesylate

Base Information

• Chemical Name: Trioxifene mesylate
• CAS No.: 68307-81-3
• Molecular Formula: C30H31NO3•CH4O3S
• Molecular Weight: 549.73
• UNII: 63ZD22G88L
• DSSTox Substance ID: DTXSID00218461
• Wikidata: Q27263665
• NCI Thesaurus Code: C1414
• ChEMBL ID: CHEMBL2104447
• Mol file: 68307-81-3.mol

Synonyms:3,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenylketone;Lilly 133314;Lilly 88571;LY 133314;LY 88571;trioxifene;trioxifene mesylate;trioxifene methanesulfonate

Chemical Property of Trioxifene mesylate

Chemical Property:

• Boiling Point: 633.5°Cat760mmHg
• Flash Point: 336.9°C
• PSA: 101.52000
• Density: g/cm³
• LogP: 6.43240
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 549.21850901
• Heavy Atom Count: 39
• Complexity: 788

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3CC2)C(=O)C4=CC=C(C=C4)OCCN5CCCC5.CS(=O)(=O)O