2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-imidazol-4-yl)methyl)-, (3S,4R)-

Base Information

• Chemical Name: 2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-imidazol-4-yl)methyl)-, (3S,4R)-
• CAS No.: 69460-80-6
• Molecular Formula: C16H18 N2 O3
• Molecular Weight: 286.33
• DSSTox Substance ID: DTXSID70219627
• Nikkaji Number: J3.239.582A
• Wikidata: Q83096590
• Metabolomics Workbench ID: 128695
• ChEMBL ID: CHEMBL2386328
• Mol file: 69460-80-6.mol

Synonyms:epiisopiloturine

Chemical Property of 2(3H)-Furanone, dihydro-3-((S)-hydroxyphenylmethyl)-4-((1-methyl-1H-imidazol-4-yl)methyl)-, (3S,4R)-

Chemical Property:

• Vapor Pressure: 9.39E-14mmHg at 25°C
• Boiling Point: 568.3°C at 760 mmHg
• Flash Point: 297.5°C
• PSA: 64.35000
• Density: 1.29g/cm³
• LogP: 1.48540
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 286.13174244
• Heavy Atom Count: 21
• Complexity: 371

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Epiisopiloturine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)CC2COC(=O)C2C(C3=CC=CC=C3)O
• Isomeric SMILES: CN1C=C(N=C1)C[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC=CC=C3)O
• Uses: Epiisopiloturine is an anti-inflammatory and antinociceptive agent. It is an alkaloid from jaborandi leaves (Pilocarpus microphyllus). epiisopiloturine is able to kill Schistosoma mansoni caused by blood flukes of the genus Schistosoma.