cis-Clomiphene Hydrochloride
[CAS# 15690-55-8]

Identification

• Name: cis-Clomiphene Hydrochloride
• Synonyms: 2-[4-[2-Chloro-1,2-Di(Phenyl)Ethenyl]Phenoxy]-N,N-Diethylethanamine; 2-[4-[2-Chloro-1,2-Di(Phenyl)Vinyl]Phenoxy]-N,N-Diethyl-Ethanamine; 2-[4-[(Z)-2-Chloro-1,2-Di(Phenyl)Vinyl]Phenoxy]-N,N-Diethyl-Ethanamine
• Molecular Formula: C₂₆H₂₈ClNO
• Molecular Weight: 405.97
• CAS Registry Number: 15690-55-8
• SMILES: C3=C(\C(C1=CC=CC=C1)=C(\C2=CC=CC=C2)Cl)C=CC(=C3)OCCN(CC)CC
• InChI: 1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
• InChIKey: GKIRPKYJQBWNGO-QPLCGJKRSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 509°C at 760 mmHg (Cal.)
• Flash point: 261.634°C (Cal.)

References

• (1): Sean Ekins, Konstantin V. Balakin, Nikolay Savchuk, and Yan Ivanenkov. Insights for Human Ether-a-Go-Go-Related Gene Potassium Channel Inhibition Using Recursive Partitioning and Kohonen and Sammon Mapping Techniques, J. Med. Chem. 2006, 49(17), 5059-5071.