Misoprostol B

Base Information

• Chemical Name: Misoprostol B
• CAS No.: 1331639-92-9
• Molecular Formula: C22H36O4
• Molecular Weight: 364.51884
• UNII: 61YOW58T50
• Wikidata: Q27263400
• Mol file: 1331639-92-9.mol

Synonyms:Misoprostol B;1331639-92-9;B-TYPE Misoprostola;rac-11-Deoxy-8(12)-dehydro Misoprostol;Misoprostol impurity D [EP];UNII-61YOW58T50;61YOW58T50;methyl 7-[2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate;Misoprostol impurity, b-type misoprostol- [USP];(E)-Methyl 7-(2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopent-1-enyl)heptanoate;Methyl 7-(2-((1E,4RS)-4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopent-1-enyl)heptanoate;1788085-79-9;(E)-Methyl 7-(2-(4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopent-1-en-1-yl)heptanoate;MISOPROSTOL IMPURITY D [EP IMPURITY];Q27263400;MISOPROSTOL IMPURITY, B-TYPE MISOPROSTOL- [USP IMPURITY]

Chemical Property of Misoprostol B

Chemical Property:

• PSA: 63.60000
• LogP: 5.04700
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Dichloromethane (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Met
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 364.26135963
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

98%min ^*data from raw suppliers

rac-11-Deoxy-8(12)-dehydroMisoprostol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)(CC=CC1=C(C(=O)CC1)CCCCCCC(=O)OC)O
• Isomeric SMILES: CCCCC(C)(C/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)OC)O
• Uses: Misoprostol (M368750) impurity.