1-[2-[p-[alpha-(p-Methoxyphenyl)-beta-nitrostyryl]phenoxy]ethyl]pyrrolidine citrate (1:1)

Base Information

• Chemical Name: 1-[2-[p-[alpha-(p-Methoxyphenyl)-beta-nitrostyryl]phenoxy]ethyl]pyrrolidine citrate (1:1)
• CAS No.: 5863-35-4
• Molecular Formula: C27H28N2O4•C6H8O7
• Molecular Weight: 636.71
• NSC Number: 110407
• NCI Thesaurus Code: C90721
• Mol file: 5863-35-4.mol

Synonyms:CI 628;CI-628;CI628;CN-55,945-27;CN-55945-27;Nitromifene;Nitromifene Citrate;Nitromifene Citrate (1:1);Nitromifene, (E)-Isomer;Nitromifene, (Z)-Isomer;Nitromiphene

Chemical Property of 1-[2-[p-[alpha-(p-Methoxyphenyl)-beta-nitrostyryl]phenoxy]ethyl]pyrrolidine citrate (1:1)

Chemical Property:

• Boiling Point: 576.7°Cat760mmHg
• Flash Point: 302.6°C
• PSA: 199.65000
• Density: 1.183g/cm³
• LogP: 4.57570
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 636.23190997
• Heavy Atom Count: 46
• Complexity: 860

Purity/Quality:

99% ^*data from raw suppliers

NitromifeneCitrate(E/Zmixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Isomeric SMILES: COC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[N+](=O)[O-])/C3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Uses: Anti-estrogen. Nitromifene citrate is a non-steroidal estrogen antagonist. It is structurally similar to Tamoxifen (T006000) which is a selective estrogen response modifier (SERM).