(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(E)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Base Information

• Chemical Name: (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(E)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS No.: 124478-60-0
• Molecular Formula: C29H37NO2
• Molecular Weight: 431.62
• European Community (EC) Number: 685-671-3
• Metabolomics Workbench ID: 155699
• NCI Thesaurus Code: C78092
• Wikipedia: Aglepristone
• Mol file: 124478-60-0.mol

Synonyms:11beta-(p-(dimethylamino)phenyl)-17beta-hydroxy-17-((Z)-propenyl)estra-4,9-dien-3-one;aglepristone;Alizine

Chemical Property of (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(E)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Chemical Property:

• Vapor Pressure: 6.55E-16mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 613.555 °C at 760 mmHg
• Flash Point: 324.866 °C
• PSA: 40.54000
• Density: 1.16 /cm³
• LogP: 5.95930
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 431.282429423
• Heavy Atom Count: 32
• Complexity: 858

Purity/Quality:

99% ^*data from raw suppliers

Aglepristone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
• Isomeric SMILES: C/C=C/[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
• Uses: Aglepristone is used as a treatment to induce parturition in ewes and their newborns. A competitive progesterone antagonist for treatment of various progesterone-dependent physiology and pathology conditions, and effective means of terminating pregnancy in most species. Also, it prevents sperm progression toward the oviducts and fertilization in inseminated females.