Droloxifene citrate

Base Information

• Chemical Name: Droloxifene citrate
• CAS No.: 97752-20-0
• Molecular Formula: C26H29NO2^.C6H8O7
• Molecular Weight: 579.64
• European Community (EC) Number: 307-782-5
• UNII: 6KM138NW4B
• NCI Thesaurus Code: C166946
• ChEMBL ID: CHEMBL2105786
• Mol file: 97752-20-0.mol

Synonyms:3-hydroxytamoxifen;3-hydroxytamoxifen citrate;droloxifene;droloxifene citrate;FK 435;FK-435;FK435;meta-hydroxytamoxifen

Chemical Property of Droloxifene citrate

Chemical Property:

• Appearance/Colour: COA
• Vapor Pressure: 1.05E-11mmHg at 25°C
• Boiling Point: 526.6 °C at 760 mmHg
• Flash Point: 272.3 °C
• PSA: 164.83000
• LogP: 4.45320
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 579.24683176
• Heavy Atom Count: 42
• Complexity: 728

Purity/Quality:

99% ^*data from raw suppliers

DroloxifeneCitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=CC=C2)O)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Uses: Antineoplastic. Droloxifene is a non-steroidal anti-oestrogen that is structurally related to Tamoxifen (T006000), a drug used to prevent the occurrence of breast cancer in postmenopausal women. Droloxifene has a very high binding affinity to estrogen receptors and is used, similarly to Tamoxifen, to prevent and treat breast cancer.