Calcium Bis{(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolinyl]-3,5-Dihydroxy-6-Heptenoate}
[CAS# 121659-03-8]

Identification

• Name: Calcium Bis{(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolinyl]-3,5-Dihydroxy-6-Heptenoate}
• Synonyms: 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-
• Molecular Formula: C₅₀H₄₆CaF₂N₂O₈
• Molecular Weight: 880.98
• CAS Registry Number: 121659-03-8
• SMILES: C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
• InChI: 1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
• InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO

Safety Data

• Safety Description: IRRITANT