Pimilprost

Base Information

• Chemical Name: Pimilprost
• CAS No.: 139403-31-9
• Molecular Formula: C23H40 O5
• Molecular Weight: 396.564
• UNII: O316O1ZGEG
• ChEMBL ID: CHEMBL2106962
• DSSTox Substance ID: DTXSID301103361
• NCI Thesaurus Code: C76902
• Nikkaji Number: J561.793F
• Wikidata: Q27285254
• Mol file: 139403-31-9.mol

Synonyms:SM 10902;SM-10902

Chemical Property of Pimilprost

Chemical Property:

• Vapor Pressure: 2.37E-12mmHg at 25°C
• Boiling Point: 505.9°Cat760mmHg
• Flash Point: 162.4°C
• PSA: 75.99000
• Density: 1.081g/cm³
• LogP: 3.72280
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 396.28757437
• Heavy Atom Count: 28
• Complexity: 491

Purity/Quality:

PIMILPROST 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)CC(C=CC1C2CC(CC2CC1O)CCOCC(=O)OC)O
• Isomeric SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@H]2C[C@@H](C[C@H]2C[C@H]1O)CCOCC(=O)OC)O