N-Desmethyltoremifene

Base Information

• Chemical Name: N-Desmethyltoremifene
• CAS No.: 110503-61-2
• Molecular Formula: C25H26 Cl N O
• Molecular Weight: 391.93
• UNII: 2EBS4A61GK
• Nikkaji Number: J385.177J,J446.022G
• Wikidata: Q27254624
• Mol file: 110503-61-2.mol

Synonyms:N-demethyltoremifene;N-desmethyltoremifene;N-desmethyltoremifene, (E)-isomer

Chemical Property of N-Desmethyltoremifene

Chemical Property:

• Vapor Pressure: 9.24E-12mmHg at 25°C
• Melting Point: 197-200°C
• Boiling Point: 540.8°Cat760mmHg
• Flash Point: 280.9°C
• PSA: 21.26000
• Density: 1.111g/cm³
• LogP: 6.26370
• Storage Temp.: Amber Vial, Refrigerator
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 391.1702921
• Heavy Atom Count: 28
• Complexity: 457

Purity/Quality:

97% ^*data from raw suppliers

N-DESMETHYL TOREMIFENE-D4 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3
• Isomeric SMILES: CNCCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3
• Uses: A metabolite of Toremifene