10,10-Dimethyl-11-deoxy-7-thia-16-meta-chlorophenoxy-17,18,19,20-tetranol-prostaglandin E1
[CAS# 98677-34-0]

Identification

• Name: 10,10-Dimethyl-11-deoxy-7-thia-16-meta-chlorophenoxy-17,18,19,20-tetranol-prostaglandin E1
• Synonyms: 6-[(1R,5R)-5-[(E,3R)-4-(3-Chlorophenoxy)-3-Hydroxy-But-1-Enyl]-3,3-Dimethyl-2-Oxo-Cyclopentyl]Sulfanylhexanoic Acid; 6-[[(1R,5R)-5-[(E,3R)-4-(3-Chlorophenoxy)-3-Hydroxybut-1-Enyl]-3,3-Dimethyl-2-Oxocyclopentyl]Thio]Hexanoic Acid; 6-[[(1R,5R)-5-[(E,3R)-4-(3-
• Molecular Formula: C₂₃H₃₁ClO₅S
• Molecular Weight: 455.01
• CAS Registry Number: 98677-34-0
• SMILES: [C@H](COC1=CC=CC(=C1)Cl)(\C=C\[C@H]2CC(C([C@@H]2SCCCCCC(O)=O)=O)(C)C)O
• InChI: 1S/C23H31ClO5S/c1-23(2)14-16(21(22(23)28)30-12-5-3-4-9-20(26)27)10-11-18(25)15-29-19-8-6-7-17(24)13-19/h6-8,10-11,13,16,18,21,25H,3-5,9,12,14-15H2,1-2H3,(H,26,27)/b11-10+/t16-,18+,21+/m0/s1
• InChIKey: NPZAJGUFIOUJJX-QEOQUJROSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 637.425°C at 760 mmHg (Cal.)
• Flash point: 339.303°C (Cal.)