Haplophyllidine

Base Information

• Chemical Name: Haplophyllidine
• CAS No.: 18063-21-3
• Molecular Formula: C18H23NO4
• Molecular Weight: 317.38
• DSSTox Substance ID: DTXSID70332002
• Nikkaji Number: J2.774.677B
• Wikidata: Q27106826
• Metabolomics Workbench ID: 69511
• ChEMBL ID: CHEMBL4779508
• Mol file: 18063-21-3.mol

Synonyms:Haplophyllidine;18063-21-3;(7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-enyl)-6,7-dihydro-5H-furo[2,3-b]quinolin-7-ol;C10692;AC1L9DMK;BB_NC-0665;(7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-7-ol;CHEBI:5618;CHEMBL4779508;DTXSID70332002;MolPort-002-507-183;ZINC00199444;AKOS015955608;Q27106826

Chemical Property of Haplophyllidine

Chemical Property:

• Vapor Pressure: 2.4E-08mmHg at 25°C
• Boiling Point: 435.3°Cat760mmHg
• Flash Point: 217°C
• PSA: 64.72000
• Density: 1.2g/cm³
• LogP: 3.34150
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 317.16270821
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

>98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1(C(CCC2=C1N=C3C(=C2OC)C=CO3)O)OC)C
• Isomeric SMILES: CC(=CC[C@@]1([C@@H](CCC2=C1N=C3C(=C2OC)C=CO3)O)OC)C
• Description: The empirical formula and structure of this furanoquinoline alkaloid have been modified to those given above.

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